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

C14H18N4O2S — CID 75361451

IUPACN-(4-hydroxycyclohexyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)NC3CCC(O)CC3)cs2)cn1
InChIInChI=1S/C14H18N4O2S/c1-18-7-9(6-15-18)14-17-12(8-21-14)13(20)16-10-2-4-11(19)5-3-10/h6-8,10-11,19H,2-5H2,1H3,(H,16,20)
InChIKeyGUGGSUWPVUYOMD-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.58
Rot. Bonds3

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

N-(4-hydroxycyclohexyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 75361451) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID75361451
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-(4-hydroxycyclohexyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)NC3CCC(O)CC3)cs2)cn1
InChIInChI=1S/C14H18N4O2S/c1-18-7-9(6-15-18)14-17-12(8-21-14)13(20)16-10-2-4-11(19)5-3-10/h6-8,10-11,19H,2-5H2,1H3,(H,16,20)
InChIKeyGUGGSUWPVUYOMD-UHFFFAOYSA-N
XLogP1.58
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methyl-3-azaspiro[5.5]undecan-9-yl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 167925289
N-(4-hydroxycyclohexyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 78810994
2-(1-methylpyrazol-4-yl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
CID 172595703
N-(2-hydroxyethyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 78887275
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxylate
CID 55994834
2-methyl-N-[1-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]benzamide
CID 55790830
2-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 119187518
5-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 119234517
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55847165
2-(2,4-dimethylphenyl)-N-(4-hydroxycyclohexyl)-1,3-thiazole-4-carboxamide
CID 110909676
2-(4-chlorophenyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 26736860
2-(1-methylpyrazol-4-yl)-N-[(1-propylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 51101862

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 75361451) is N-(4-hydroxycyclohexyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is Cn1cc(-c2nc(C(=O)NC3CCC(O)CC3)cs2)cn1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is GUGGSUWPVUYOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-18-7-9(6-15-18)14-17-12(8-21-14)13(20)16-10-2-4-11(19)5-3-10/h6-8,10-11,19H,2-5H2,1H3,(H,16,20).
What are the key properties of N-(4-hydroxycyclohexyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-(4-hydroxycyclohexyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 75361451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).