tert-butyl N-[(1S)-1-[4-[[(1S)-1-[4-[(2,4-dimethoxyphenyl)methylcarbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamate

C30H41N5O6S2 — CID 72793835

IUPACtert-butyl N-[(1S)-1-[4-[[(1S)-1-[4-[(2,4-dimethoxyphenyl)methylcarbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamate
SMILESCOc1ccc(CNC(=O)c2csc([C@@H](NC(=O)c3csc([C@@H](NC(=O)OC(C)(C)C)C(C)C)n3)C(C)C)n2)c(OC)c1
InChIInChI=1S/C30H41N5O6S2/c1-16(2)23(27-32-20(14-42-27)25(36)31-13-18-10-11-19(39-8)12-22(18)40-9)34-26(37)21-15-43-28(33-21)24(17(3)4)35-29(38)41-30(5,6)7/h10-12,14-17,23-24H,13H2,1-9H3,(H,31,36)(H,34,37)(H,35,38)/t23-,24-/m0/s1
InChIKeyVRRVKYGPIOCODO-ZEQRLZLVSA-N
MW631.82 g/mol
LogP5.90
Rot. Bonds12

About tert-butyl N-[(1S)-1-[4-[[(1S)-1-[4-[(2,4-dimethoxyphenyl)methylcarbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamate

tert-butyl N-[(1S)-1-[4-[[(1S)-1-[4-[(2,4-dimethoxyphenyl)methylcarbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamate (PubChem CID 72793835) has the molecular formula C30H41N5O6S2 and a molecular weight of 631.82 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-[4-[[(1S)-1-[4-[(2,4-dimethoxyphenyl)methylcarbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-[4-[[(1S)-1-[4-[(2,4-dimethoxyphenyl)methylcarbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamate
PubChem CID72793835
Molecular FormulaC30H41N5O6S2
Molecular Weight631.82 g/mol
Exact Mass631.25
IUPAC Nametert-butyl N-[(1S)-1-[4-[[(1S)-1-[4-[(2,4-dimethoxyphenyl)methylcarbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamate
SMILESCOc1ccc(CNC(=O)c2csc([C@@H](NC(=O)c3csc([C@@H](NC(=O)OC(C)(C)C)C(C)C)n3)C(C)C)n2)c(OC)c1
InChIInChI=1S/C30H41N5O6S2/c1-16(2)23(27-32-20(14-42-27)25(36)31-13-18-10-11-19(39-8)12-22(18)40-9)34-26(37)21-15-43-28(33-21)24(17(3)4)35-29(38)41-30(5,6)7/h10-12,14-17,23-24H,13H2,1-9H3,(H,31,36)(H,34,37)(H,35,38)/t23-,24-/m0/s1
InChIKeyVRRVKYGPIOCODO-ZEQRLZLVSA-N
XLogP5.90
TPSA140.77 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.82
LogP ≤ 55.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze tert-butyl N-[(1S)-1-[4-[[(1S)-1-[4-[(2,4-dimethoxyphenyl)methylcarbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472640
2-[1-(2,4-dimethoxybenzyl)-3-oxopiperazin-2-yl]-N-[(2-isopropyl-1,3-thiazol-4-yl)methyl]acetamide
CID 16187773
2-[1-(2,4-dimethoxybenzyl)-3-oxo-2-piperazinyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 24794184
tert-butyl N-[(1S)-1-[4-[[(1S)-1-[4-[1-(4-methoxyphenyl)ethylcarbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamate
CID 90656751
tert-butyl N-[(1S)-1-[4-[[(1S)-1-[4-[(2,4-dimethoxyphenyl)carbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamate
CID 90656752
tert-butyl N-[(1S)-2-methyl-1-[4-[[(1S)-2-methyl-1-[4-[(3,4,5-trimethoxyphenyl)carbamoyl]-1,3-thiazol-2-yl]propyl]carbamoyl]-1,3-thiazol-2-yl]propyl]carbamate
CID 90656753
2-(2,4-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1,3-thiazole-4-carboxamide
CID 166628009
N-[2-(8-methoxy-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 45165631
benzyl (2R)-2-[5-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(2,4-dimethoxyphenyl)methylcarbamoyl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxylate
CID 124152927
benzyl (2R)-2-[4-[(2,4-dimethoxyphenyl)methylcarbamoyl]-5-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-2-yl]pyrrolidine-1-carboxylate
CID 124153453
Benzyl 2-[4-[(2,4-dimethoxyphenyl)methylcarbamoyl]-5-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazol-2-yl]pyrrolidine-1-carboxylate
CID 124153456
benzyl (2R)-2-[4-[(2,4-dimethoxyphenyl)methylcarbamoyl]-5-[(2-fluoro-2-methylpropanoyl)amino]-1,3-thiazol-2-yl]pyrrolidine-1-carboxylate
CID 124153722

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-[4-[[(1S)-1-[4-[(2,4-dimethoxyphenyl)methylcarbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-[4-[[(1S)-1-[4-[(2,4-dimethoxyphenyl)methylcarbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamate (CID 72793835) is tert-butyl N-[(1S)-1-[4-[[(1S)-1-[4-[(2,4-dimethoxyphenyl)methylcarbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-[4-[[(1S)-1-[4-[(2,4-dimethoxyphenyl)methylcarbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-[4-[[(1S)-1-[4-[(2,4-dimethoxyphenyl)methylcarbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamate is COc1ccc(CNC(=O)c2csc([C@@H](NC(=O)c3csc([C@@H](NC(=O)OC(C)(C)C)C(C)C)n3)C(C)C)n2)c(OC)c1.
What is the InChIKey of tert-butyl N-[(1S)-1-[4-[[(1S)-1-[4-[(2,4-dimethoxyphenyl)methylcarbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamate?
The InChIKey is VRRVKYGPIOCODO-ZEQRLZLVSA-N. The full InChI is InChI=1S/C30H41N5O6S2/c1-16(2)23(27-32-20(14-42-27)25(36)31-13-18-10-11-19(39-8)12-22(18)40-9)34-26(37)21-15-43-28(33-21)24(17(3)4)35-29(38)41-30(5,6)7/h10-12,14-17,23-24H,13H2,1-9H3,(H,31,36)(H,34,37)(H,35,38)/t23-,24-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-[4-[[(1S)-1-[4-[(2,4-dimethoxyphenyl)methylcarbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamate?
tert-butyl N-[(1S)-1-[4-[[(1S)-1-[4-[(2,4-dimethoxyphenyl)methylcarbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamate has a molecular weight of 631.82 g/mol, XLogP of 5.90, 12 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-[4-[[(1S)-1-[4-[(2,4-dimethoxyphenyl)methylcarbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamoyl]-1,3-thiazol-2-yl]-2-methylpropyl]carbamate is sourced from PubChem (CID 72793835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).