N-(4-hydroxy-2-methylpentyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide

C14H20N4O2S — CID 111447555

IUPACN-(4-hydroxy-2-methylpentyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCC(O)CC(C)CNC(=O)c1cnc(-c2cnn(C)c2)s1
InChIInChI=1S/C14H20N4O2S/c1-9(4-10(2)19)5-15-13(20)12-7-16-14(21-12)11-6-17-18(3)8-11/h6-10,19H,4-5H2,1-3H3,(H,15,20)
InChIKeyIUGWEHLYBGSGCU-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.68
Rot. Bonds6

About N-(4-hydroxy-2-methylpentyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide

N-(4-hydroxy-2-methylpentyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 111447555) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylpentyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylpentyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID111447555
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-(4-hydroxy-2-methylpentyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCC(O)CC(C)CNC(=O)c1cnc(-c2cnn(C)c2)s1
InChIInChI=1S/C14H20N4O2S/c1-9(4-10(2)19)5-15-13(20)12-7-16-14(21-12)11-6-17-18(3)8-11/h6-10,19H,4-5H2,1-3H3,(H,15,20)
InChIKeyIUGWEHLYBGSGCU-UHFFFAOYSA-N
XLogP1.68
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
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-(diethylamino)-4-methylpentyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 71876502
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 127310921
N-[4-(2-hydroxyethyl)phenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 111118111
N-[(4-methylmorpholin-2-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 127310827
N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 97087861
2-(1-methylpyrazol-4-yl)-N-(2,3,4-trifluorophenyl)-1,3-thiazole-5-carboxamide
CID 99122315
[4-(2-methylpropoxy)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
CID 56788126
2-(3,4-difluorophenyl)-N-(4-hydroxy-2-methylbutyl)-1,3-thiazole-5-carboxamide
CID 110021620
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 99122319
methyl 3-(2,4-dimethoxyphenyl)-3-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]amino]propanoate
CID 75396955
methyl 2-(1-propylpyrazol-4-yl)-1,3-thiazole-5-carboxylate
CID 103572384
5-[(4-hydroxy-2-methylpentyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685745

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylpentyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-hydroxy-2-methylpentyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide (CID 111447555) is N-(4-hydroxy-2-methylpentyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-methylpentyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-methylpentyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide is CC(O)CC(C)CNC(=O)c1cnc(-c2cnn(C)c2)s1.
What is the InChIKey of N-(4-hydroxy-2-methylpentyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is IUGWEHLYBGSGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-9(4-10(2)19)5-15-13(20)12-7-16-14(21-12)11-6-17-18(3)8-11/h6-10,19H,4-5H2,1-3H3,(H,15,20).
What are the key properties of N-(4-hydroxy-2-methylpentyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
N-(4-hydroxy-2-methylpentyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 308.41 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylpentyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 111447555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).