N-(2-hydroxy-2,3-dimethylbutyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

C14H20N4O2S — CID 111484287

IUPACN-(2-hydroxy-2,3-dimethylbutyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)C(C)(O)CNC(=O)c1csc(-c2cnn(C)c2)n1
InChIInChI=1S/C14H20N4O2S/c1-9(2)14(3,20)8-15-12(19)11-7-21-13(17-11)10-5-16-18(4)6-10/h5-7,9,20H,8H2,1-4H3,(H,15,19)
InChIKeySBPBBMQULTVUAF-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.68
Rot. Bonds5

About N-(2-hydroxy-2,3-dimethylbutyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-(2-hydroxy-2,3-dimethylbutyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 111484287) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylbutyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylbutyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID111484287
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-(2-hydroxy-2,3-dimethylbutyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)C(C)(O)CNC(=O)c1csc(-c2cnn(C)c2)n1
InChIInChI=1S/C14H20N4O2S/c1-9(2)14(3,20)8-15-12(19)11-7-21-13(17-11)10-5-16-18(4)6-10/h5-7,9,20H,8H2,1-4H3,(H,15,19)
InChIKeySBPBBMQULTVUAF-UHFFFAOYSA-N
XLogP1.68
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 111441960
N-(2-hydroxyethyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 78887275
N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 86866208
2-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 119187518
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 111543015
5-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 119234517
(2R)-4-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 119363400
N-[2-(N-methylanilino)propyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55791148
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 87002068
N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 94442508
2-(1-methylpyrazol-4-yl)-N-[(1-propylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 51101862
N-[2-(4-chloroanilino)-2-oxoethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 47070474

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 111484287) is N-(2-hydroxy-2,3-dimethylbutyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylbutyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylbutyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is CC(C)C(C)(O)CNC(=O)c1csc(-c2cnn(C)c2)n1.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylbutyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is SBPBBMQULTVUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-9(2)14(3,20)8-15-12(19)11-7-21-13(17-11)10-5-16-18(4)6-10/h5-7,9,20H,8H2,1-4H3,(H,15,19).
What are the key properties of N-(2-hydroxy-2,3-dimethylbutyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-(2-hydroxy-2,3-dimethylbutyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 308.41 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylbutyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 111484287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).