ethyl 2-[[2-methylpropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]acetate

C16H27N3O3S — CID 10783432

IUPACethyl 2-[[2-methylpropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(Cc1csc(C(C)C)n1)CC(C)C
InChIInChI=1S/C16H27N3O3S/c1-6-22-14(20)7-17-16(21)19(8-11(2)3)9-13-10-23-15(18-13)12(4)5/h10-12H,6-9H2,1-5H3,(H,17,21)
InChIKeyYCXZORBRUCOVNL-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.00
Rot. Bonds8

About ethyl 2-[[2-methylpropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]acetate

ethyl 2-[[2-methylpropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]acetate (PubChem CID 10783432) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is ethyl 2-[[2-methylpropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-methylpropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]acetate
PubChem CID10783432
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC Nameethyl 2-[[2-methylpropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(Cc1csc(C(C)C)n1)CC(C)C
InChIInChI=1S/C16H27N3O3S/c1-6-22-14(20)7-17-16(21)19(8-11(2)3)9-13-10-23-15(18-13)12(4)5/h10-12H,6-9H2,1-5H3,(H,17,21)
InChIKeyYCXZORBRUCOVNL-UHFFFAOYSA-N
XLogP3.00
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate
CID 10727325
ethyl 2-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 82547812
methyl (2S)-2-[[(2-propan-2-yl-1,3-thiazol-4-yl)methyl-propylcarbamoyl]amino]propanoate
CID 10616209
ethyl 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 82547809
(2S)-2-[[ethyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoic acid
CID 10614110
tert-butyl N-[2-[2-methylpropyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]carbamate
CID 70987245
3-[(Z)-2-aminoethenyl]-1-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea
CID 70837873
methyl (2S)-3-methyl-2-[[[(2-methylpropan-2-yl)oxycarbonylamino]-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoate
CID 54275115
methyl (2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]pentanoate
CID 59131480
methyl (2S)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]pentanoate
CID 118297816
(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2-propan-2-yl-1,3-thiazol-4-yl)methyl-propylcarbamoyl]amino]propanoic acid
CID 71132367
methyl N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamate
CID 110728086

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-methylpropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-methylpropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]acetate (CID 10783432) is ethyl 2-[[2-methylpropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-methylpropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-methylpropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]acetate is CCOC(=O)CNC(=O)N(Cc1csc(C(C)C)n1)CC(C)C.
What is the InChIKey of ethyl 2-[[2-methylpropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]acetate?
The InChIKey is YCXZORBRUCOVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-6-22-14(20)7-17-16(21)19(8-11(2)3)9-13-10-23-15(18-13)12(4)5/h10-12H,6-9H2,1-5H3,(H,17,21).
What are the key properties of ethyl 2-[[2-methylpropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]acetate?
ethyl 2-[[2-methylpropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]acetate has a molecular weight of 341.48 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-methylpropyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]acetate is sourced from PubChem (CID 10783432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).