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

C17H22N2O2S — CID 118917738

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)c(C(=O)NC(CO)CC(C)C)s1
InChIInChI=1S/C17H22N2O2S/c1-11(2)9-14(10-20)19-17(21)16-15(18-12(3)22-16)13-7-5-4-6-8-13/h4-8,11,14,20H,9-10H2,1-3H3,(H,19,21)
InChIKeyKICBKFCBWGAZDM-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.26
Rot. Bonds6

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

N-(1-hydroxy-4-methylpentan-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 118917738) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
PubChem CID118917738
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)c(C(=O)NC(CO)CC(C)C)s1
InChIInChI=1S/C17H22N2O2S/c1-11(2)9-14(10-20)19-17(21)16-15(18-12(3)22-16)13-7-5-4-6-8-13/h4-8,11,14,20H,9-10H2,1-3H3,(H,19,21)
InChIKeyKICBKFCBWGAZDM-UHFFFAOYSA-N
XLogP3.26
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-methyl-2-[[2-[(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120695141
N-(1-cyclopropylethyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 17466495
N-(1-hydroxy-4-methylpentan-2-yl)-2-phenylbenzamide
CID 131985605
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 134397788
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 142753650
N-(3-aminopropyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 119404834
N-[(2S)-1-amino-4-methylpentan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 68724998
1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)ethanone
CID 59263615
2-methyl-4-(4-phenylphenyl)-1,3-thiazole-5-carboxylic acid
CID 95495373
2-methyl-N'-(4-methylbenzoyl)-4-phenyl-1,3-thiazole-5-carbohydrazide
CID 9086784
2-[methyl-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 119358383
2-chloro-N-(3-methylbutyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 91822166

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide (CID 118917738) is N-(1-hydroxy-4-methylpentan-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)c(C(=O)NC(CO)CC(C)C)s1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is KICBKFCBWGAZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-11(2)9-14(10-20)19-17(21)16-15(18-12(3)22-16)13-7-5-4-6-8-13/h4-8,11,14,20H,9-10H2,1-3H3,(H,19,21).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide?
N-(1-hydroxy-4-methylpentan-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 318.44 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118917738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).