N-[1-(cyclobutylmethyl)pyrazol-4-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

C16H18N6OS — CID 165129952

IUPACN-[1-(cyclobutylmethyl)pyrazol-4-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)Nc3cnn(CC4CCC4)c3)cs2)cn1
InChIInChI=1S/C16H18N6OS/c1-21-8-12(5-17-21)16-20-14(10-24-16)15(23)19-13-6-18-22(9-13)7-11-3-2-4-11/h5-6,8-11H,2-4,7H2,1H3,(H,19,23)
InChIKeyKMKLRLHIYPNNGZ-UHFFFAOYSA-N
MW342.43 g/mol
LogP2.79
Rot. Bonds5

About N-[1-(cyclobutylmethyl)pyrazol-4-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-[1-(cyclobutylmethyl)pyrazol-4-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 165129952) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is N-[1-(cyclobutylmethyl)pyrazol-4-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclobutylmethyl)pyrazol-4-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID165129952
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC NameN-[1-(cyclobutylmethyl)pyrazol-4-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)Nc3cnn(CC4CCC4)c3)cs2)cn1
InChIInChI=1S/C16H18N6OS/c1-21-8-12(5-17-21)16-20-14(10-24-16)15(23)19-13-6-18-22(9-13)7-11-3-2-4-11/h5-6,8-11H,2-4,7H2,1H3,(H,19,23)
InChIKeyKMKLRLHIYPNNGZ-UHFFFAOYSA-N
XLogP2.79
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[(3,3-dimethylcyclobutyl)methyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 165130080
N-(2-hydroxyethyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 78887275
2-(4-ethoxyphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 32609720
N-[1-(2-piperidin-4-ylethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 165129927
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
5-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 119234517
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 87002068
2-(3,4-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 167873536
N-(4-hydroxycyclohexyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 75361451
2-(3-chlorophenyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 60557435
2-(1-methylpyrazol-4-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1,3-thiazole-4-carboxamide
CID 55790144

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclobutylmethyl)pyrazol-4-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(cyclobutylmethyl)pyrazol-4-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 165129952) is N-[1-(cyclobutylmethyl)pyrazol-4-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(cyclobutylmethyl)pyrazol-4-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(cyclobutylmethyl)pyrazol-4-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is Cn1cc(-c2nc(C(=O)Nc3cnn(CC4CCC4)c3)cs2)cn1.
What is the InChIKey of N-[1-(cyclobutylmethyl)pyrazol-4-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is KMKLRLHIYPNNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-21-8-12(5-17-21)16-20-14(10-24-16)15(23)19-13-6-18-22(9-13)7-11-3-2-4-11/h5-6,8-11H,2-4,7H2,1H3,(H,19,23).
What are the key properties of N-[1-(cyclobutylmethyl)pyrazol-4-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[1-(cyclobutylmethyl)pyrazol-4-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 342.43 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclobutylmethyl)pyrazol-4-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 165129952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).