[1-(4-carbamoyl-1,3-thiazol-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] acetate;propane

C17H29N3O5S — CID 142543090

IUPAC[1-(4-carbamoyl-1,3-thiazol-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] acetate;propane
SMILESCC(=O)OC(CCNC(=O)OC(C)(C)C)c1nc(C(N)=O)cs1.CCC
InChIInChI=1S/C14H21N3O5S.C3H8/c1-8(18)21-10(12-17-9(7-23-12)11(15)19)5-6-16-13(20)22-14(2,3)4;1-3-2/h7,10H,5-6H2,1-4H3,(H2,15,19)(H,16,20);3H2,1-2H3
InChIKeyLUIVQYOAQRVBMA-UHFFFAOYSA-N
MW387.50 g/mol
LogP3.18
Rot. Bonds6

About [1-(4-carbamoyl-1,3-thiazol-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] acetate;propane

[1-(4-carbamoyl-1,3-thiazol-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] acetate;propane (PubChem CID 142543090) has the molecular formula C17H29N3O5S and a molecular weight of 387.50 g/mol. Its IUPAC name is [1-(4-carbamoyl-1,3-thiazol-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] acetate;propane.

Molecular Properties

Compound Name[1-(4-carbamoyl-1,3-thiazol-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] acetate;propane
PubChem CID142543090
Molecular FormulaC17H29N3O5S
Molecular Weight387.50 g/mol
Exact Mass387.18
IUPAC Name[1-(4-carbamoyl-1,3-thiazol-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] acetate;propane
SMILESCC(=O)OC(CCNC(=O)OC(C)(C)C)c1nc(C(N)=O)cs1.CCC
InChIInChI=1S/C14H21N3O5S.C3H8/c1-8(18)21-10(12-17-9(7-23-12)11(15)19)5-6-16-13(20)22-14(2,3)4;1-3-2/h7,10H,5-6H2,1-4H3,(H2,15,19)(H,16,20);3H2,1-2H3
InChIKeyLUIVQYOAQRVBMA-UHFFFAOYSA-N
XLogP3.18
TPSA120.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [1-(4-carbamoyl-1,3-thiazol-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] acetate;propane 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

2-[1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1,3-thiazole-4-carboxylic acid
CID 138455984
2-[1-acetyloxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-thiazole-4-carboxylic acid;ethane
CID 145146468
2-(1-acetyloxypropyl)-1,3-thiazole-4-carboxylic acid
CID 123487307
2-[(1R,3S)-1-acetyloxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentyl]-1,3-thiazole-4-carboxylic acid
CID 130374370
tert-butyl N-[3,4-dihydroxy-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butyl]carbamate
CID 171884906
methyl 2-(1-acetyloxy-3-methylbutyl)-1,3-thiazole-4-carboxylate
CID 12991951
2-[(1S,2S)-1-amino-2-methylbutyl]-1,3-thiazole-4-carboxamide
CID 68749134
tert-butyl N-[3-(2-methyl-1,3-thiazol-4-yl)-3-oxopropyl]carbamate
CID 165465018
tert-butyl N-(3,3-dihydroxypropyl)carbamate
CID 89159940
methyl (2S,4S)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoate
CID 162451851
tert-butyl N-[(6-carbamoyl-2-pyridinyl)methyl]carbamate
CID 68863111
tert-butyl N-[2-(4-carbamoyltriazol-1-yl)ethyl]carbamate
CID 126422556

Frequently Asked Questions

What is the IUPAC name of [1-(4-carbamoyl-1,3-thiazol-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] acetate;propane?
The IUPAC name of [1-(4-carbamoyl-1,3-thiazol-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] acetate;propane (CID 142543090) is [1-(4-carbamoyl-1,3-thiazol-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] acetate;propane.
What is the SMILES notation for [1-(4-carbamoyl-1,3-thiazol-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] acetate;propane?
The canonical SMILES for [1-(4-carbamoyl-1,3-thiazol-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] acetate;propane is CC(=O)OC(CCNC(=O)OC(C)(C)C)c1nc(C(N)=O)cs1.CCC.
What is the InChIKey of [1-(4-carbamoyl-1,3-thiazol-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] acetate;propane?
The InChIKey is LUIVQYOAQRVBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5S.C3H8/c1-8(18)21-10(12-17-9(7-23-12)11(15)19)5-6-16-13(20)22-14(2,3)4;1-3-2/h7,10H,5-6H2,1-4H3,(H2,15,19)(H,16,20);3H2,1-2H3.
What are the key properties of [1-(4-carbamoyl-1,3-thiazol-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] acetate;propane?
[1-(4-carbamoyl-1,3-thiazol-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] acetate;propane has a molecular weight of 387.50 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-carbamoyl-1,3-thiazol-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] acetate;propane is sourced from PubChem (CID 142543090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).