4-propan-2-yl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-2-carboxamide

C13H17N3OS2 — CID 125436740

IUPAC4-propan-2-yl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-2-carboxamide
SMILESCC[C@H](NC(=O)c1nc(C(C)C)cs1)c1nccs1
InChIInChI=1S/C13H17N3OS2/c1-4-9(12-14-5-6-18-12)15-11(17)13-16-10(7-19-13)8(2)3/h5-9H,4H2,1-3H3,(H,15,17)/t9-/m0/s1
InChIKeyYXPFEFVMHSJJOT-VIFPVBQESA-N
MW295.43 g/mol
LogP3.60
Rot. Bonds5

About 4-propan-2-yl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-2-carboxamide

4-propan-2-yl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-2-carboxamide (PubChem CID 125436740) has the molecular formula C13H17N3OS2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-propan-2-yl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-propan-2-yl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-2-carboxamide
PubChem CID125436740
Molecular FormulaC13H17N3OS2
Molecular Weight295.43 g/mol
Exact Mass295.08
IUPAC Name4-propan-2-yl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-2-carboxamide
SMILESCC[C@H](NC(=O)c1nc(C(C)C)cs1)c1nccs1
InChIInChI=1S/C13H17N3OS2/c1-4-9(12-14-5-6-18-12)15-11(17)13-16-10(7-19-13)8(2)3/h5-9H,4H2,1-3H3,(H,15,17)/t9-/m0/s1
InChIKeyYXPFEFVMHSJJOT-VIFPVBQESA-N
XLogP3.60
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-propan-2-yl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-2-carboxamide 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

5-(ethylamino)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3,4-thiadiazole-2-carboxamide
CID 80616520
2-(1-aminoethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 66389189
N,4-di(propan-2-yl)-1,3-thiazole-2-carboxamide
CID 176998061
4-amino-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-5-carboxamide
CID 116666932
3,6-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]pyridazine-4-carboxamide
CID 114038514
2,2-dimethyl-3-oxo-3-[1-(1,3-thiazol-2-yl)propylamino]propanoic acid
CID 82821210
tert-butyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate
CID 64688740
(2R)-2-amino-N-[1-(1,3-thiazol-2-yl)propyl]pentanamide
CID 103814744
6-methyl-4-oxo-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyridine-3-carboxamide
CID 103718209
4-(morpholine-4-carbonyl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide
CID 124842272
N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 115642007
5-amino-2,3-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]benzamide
CID 107185291

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-propan-2-yl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-2-carboxamide (CID 125436740) is 4-propan-2-yl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-propan-2-yl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-propan-2-yl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-2-carboxamide is CC[C@H](NC(=O)c1nc(C(C)C)cs1)c1nccs1.
What is the InChIKey of 4-propan-2-yl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-2-carboxamide?
The InChIKey is YXPFEFVMHSJJOT-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17N3OS2/c1-4-9(12-14-5-6-18-12)15-11(17)13-16-10(7-19-13)8(2)3/h5-9H,4H2,1-3H3,(H,15,17)/t9-/m0/s1.
What are the key properties of 4-propan-2-yl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-2-carboxamide?
4-propan-2-yl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-2-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 125436740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).