N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide

C16H19N3O3S — CID 94798658

IUPACN-[(2S)-1-amino-1-oxopropan-2-yl]-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)Oc1ccc(-c2nc(C(=O)N[C@@H](C)C(N)=O)cs2)cc1
InChIInChI=1S/C16H19N3O3S/c1-9(2)22-12-6-4-11(5-7-12)16-19-13(8-23-16)15(21)18-10(3)14(17)20/h4-10H,1-3H3,(H2,17,20)(H,18,21)/t10-/m0/s1
InChIKeyQWHWEIXENWZXOG-JTQLQIEISA-N
MW333.41 g/mol
LogP2.20
Rot. Bonds6

About N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide

N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 94798658) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxopropan-2-yl]-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID94798658
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-[(2S)-1-amino-1-oxopropan-2-yl]-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)Oc1ccc(-c2nc(C(=O)N[C@@H](C)C(N)=O)cs2)cc1
InChIInChI=1S/C16H19N3O3S/c1-9(2)22-12-6-4-11(5-7-12)16-19-13(8-23-16)15(21)18-10(3)14(17)20/h4-10H,1-3H3,(H2,17,20)(H,18,21)/t10-/m0/s1
InChIKeyQWHWEIXENWZXOG-JTQLQIEISA-N
XLogP2.20
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 17392431
2-(4-propan-2-yloxyphenyl)-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 71861930
2-(4-propan-2-yloxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119453009
2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 18097614
2-(4-propan-2-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 46065722
2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbohydrazide
CID 82515992
2-(4-ethoxyphenyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 78861167
N-(2-oxochromen-6-yl)-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 71880889
N-(2-piperazin-1-ylethyl)-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 119448074
4-bromo-2-(4-propan-2-yloxyphenyl)-1,3-thiazole
CID 79402988
2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 18230190
piperazin-1-yl-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone
CID 119402859

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide (CID 94798658) is N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide is CC(C)Oc1ccc(-c2nc(C(=O)N[C@@H](C)C(N)=O)cs2)cc1.
What is the InChIKey of N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is QWHWEIXENWZXOG-JTQLQIEISA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-9(2)22-12-6-4-11(5-7-12)16-19-13(8-23-16)15(21)18-10(3)14(17)20/h4-10H,1-3H3,(H2,17,20)(H,18,21)/t10-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide?
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 94798658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).