N-(1-hydroxy-3-methylpentan-3-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

C12H20N2O2S — CID 110002203

IUPACN-(1-hydroxy-3-methylpentan-3-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1sc(C)nc1C
InChIInChI=1S/C12H20N2O2S/c1-5-12(4,6-7-15)14-11(16)10-8(2)13-9(3)17-10/h15H,5-7H2,1-4H3,(H,14,16)
InChIKeyPOFWEVBUBFQTAQ-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.04
Rot. Bonds5

About N-(1-hydroxy-3-methylpentan-3-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-(1-hydroxy-3-methylpentan-3-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 110002203) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-3-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-3-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID110002203
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-(1-hydroxy-3-methylpentan-3-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1sc(C)nc1C
InChIInChI=1S/C12H20N2O2S/c1-5-12(4,6-7-15)14-11(16)10-8(2)13-9(3)17-10/h15H,5-7H2,1-4H3,(H,14,16)
InChIKeyPOFWEVBUBFQTAQ-UHFFFAOYSA-N
XLogP2.04
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 53498235
2-ethyl-4-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 49317011
N-{[(3S*,4S*)-3-hydroxypiperidin-4-yl]methyl}-2-isopropyl-4-methyl-1,3-thiazole-5-carboxamide
CID 56883261
2-[(2-Butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoic acid
CID 71915659
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 75498491
N-(1-hydroxy-2-methylbutan-2-yl)-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 86786740
N-[(3S)-3-carbamoyl-2-methylpentan-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 99820915
2,4-dimethyl-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-carboxamide
CID 53504723
N-(2-hydroxyethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 20060294
2-(1-Hydroxypropan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 162470686
2,4-dimethyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 25624739
2-(2-aminoethyl)-N-tert-butyl-4-methyl-1,3-thiazole-5-carboxamide
CID 28263013

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 110002203) is N-(1-hydroxy-3-methylpentan-3-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-3-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-3-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is CCC(C)(CCO)NC(=O)c1sc(C)nc1C.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-3-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is POFWEVBUBFQTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-5-12(4,6-7-15)14-11(16)10-8(2)13-9(3)17-10/h15H,5-7H2,1-4H3,(H,14,16).
What are the key properties of N-(1-hydroxy-3-methylpentan-3-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-(1-hydroxy-3-methylpentan-3-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 256.37 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-3-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110002203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).