2-tert-butyl-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-1,3-thiazole-5-carboxamide

C14H24N2O2S — CID 97332688

IUPAC2-tert-butyl-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCC[C@@H](C)[C@H](CO)NC(=O)c1cnc(C(C)(C)C)s1
InChIInChI=1S/C14H24N2O2S/c1-6-9(2)10(8-17)16-12(18)11-7-15-13(19-11)14(3,4)5/h7,9-10,17H,6,8H2,1-5H3,(H,16,18)/t9-,10+/m1/s1
InChIKeyCKAOZVGIUQMQMB-ZJUUUORDSA-N
MW284.43 g/mol
LogP2.58
Rot. Bonds5

About 2-tert-butyl-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-1,3-thiazole-5-carboxamide

2-tert-butyl-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 97332688) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 2-tert-butyl-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID97332688
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name2-tert-butyl-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCC[C@@H](C)[C@H](CO)NC(=O)c1cnc(C(C)(C)C)s1
InChIInChI=1S/C14H24N2O2S/c1-6-9(2)10(8-17)16-12(18)11-7-15-13(19-11)14(3,4)5/h7,9-10,17H,6,8H2,1-5H3,(H,16,18)/t9-,10+/m1/s1
InChIKeyCKAOZVGIUQMQMB-ZJUUUORDSA-N
XLogP2.58
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-tert-butyl-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-1,3-thiazole-5-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

N-[(1S,2S)-2-hydroxycyclohexyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 126793620
(2-ethyl-1,3-thiazol-5-yl)-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone
CID 137988217
N-[[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]methyl]-1,3-thiazole-5-carboxamide
CID 164634304
3-Fluoro-2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 121945167
2-methyl-N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide
CID 136518962
N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 20060236
N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide
CID 20060290
2-[2-hydroxy-3-(propan-2-ylamino)propoxy]-N-(5-methylhexyl)-1,3-thiazole-5-carboxamide
CID 20328379
2-(3,3-dihydroxypropoxy)-N-(4-methylhexyl)-1,3-thiazole-5-carboxamide
CID 20328386
2-[2-hydroxy-3-(propan-2-ylamino)propoxy]-N-(3-methylhexyl)-1,3-thiazole-5-carboxamide
CID 20328415
N-(4-ethylhexyl)-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1,3-thiazole-5-carboxamide
CID 20328506
2-[2-hydroxy-3-(propan-2-ylamino)propoxy]-N-(3-propylhexyl)-1,3-thiazole-5-carboxamide
CID 20328507

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-1,3-thiazole-5-carboxamide (CID 97332688) is 2-tert-butyl-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-1,3-thiazole-5-carboxamide is CC[C@@H](C)[C@H](CO)NC(=O)c1cnc(C(C)(C)C)s1.
What is the InChIKey of 2-tert-butyl-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is CKAOZVGIUQMQMB-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-6-9(2)10(8-17)16-12(18)11-7-15-13(19-11)14(3,4)5/h7,9-10,17H,6,8H2,1-5H3,(H,16,18)/t9-,10+/m1/s1.
What are the key properties of 2-tert-butyl-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-1,3-thiazole-5-carboxamide?
2-tert-butyl-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 284.43 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 97332688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).