N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide

C15H16N6OS — CID 167957814

IUPACN-[1-(1-cyclopropylethyl)pyrazol-4-yl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C1CC1)n1cc(NC(=O)c2csc(-c3cnc[nH]3)n2)cn1
InChIInChI=1S/C15H16N6OS/c1-9(10-2-3-10)21-6-11(4-18-21)19-14(22)13-7-23-15(20-13)12-5-16-8-17-12/h4-10H,2-3H2,1H3,(H,16,17)(H,19,22)
InChIKeyLBZOIORIYUSCPS-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.95
Rot. Bonds5

About N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide

N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide (PubChem CID 167957814) has the molecular formula C15H16N6OS and a molecular weight of 328.40 g/mol. Its IUPAC name is N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1-cyclopropylethyl)pyrazol-4-yl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide
PubChem CID167957814
Molecular FormulaC15H16N6OS
Molecular Weight328.40 g/mol
Exact Mass328.11
IUPAC NameN-[1-(1-cyclopropylethyl)pyrazol-4-yl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C1CC1)n1cc(NC(=O)c2csc(-c3cnc[nH]3)n2)cn1
InChIInChI=1S/C15H16N6OS/c1-9(10-2-3-10)21-6-11(4-18-21)19-14(22)13-7-23-15(20-13)12-5-16-8-17-12/h4-10H,2-3H2,1H3,(H,16,17)(H,19,22)
InChIKeyLBZOIORIYUSCPS-UHFFFAOYSA-N
XLogP2.95
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1-cyclopropylethyl)-3-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 165130029
N-(3,3-dichlorocyclobutyl)-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide
CID 172595745
dimethyl 3-[4-[(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)amino]pyrazol-1-yl]pentanedioate
CID 3757459
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide
CID 172595718
N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 136533338
N-[1-(difluoromethyl)cyclohexyl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide
CID 172595765
N-[1-(2-methylpropyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 165130014
fluoromethane;N-(1-methylpyrazol-4-yl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide;(4R)-oxepan-4-amine
CID 144595370
2-(2,6-difluoro-3-methylphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 144595356
N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide
CID 136548790
N-[1-(1-cyclopropylethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1,2λ2-azastannol-4-yl)-1,3-thiazole-4-carboxamide
CID 165130064
N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-4-(1H-indol-3-yl)butanamide
CID 126780952

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide (CID 167957814) is N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide is CC(C1CC1)n1cc(NC(=O)c2csc(-c3cnc[nH]3)n2)cn1.
What is the InChIKey of N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is LBZOIORIYUSCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6OS/c1-9(10-2-3-10)21-6-11(4-18-21)19-14(22)13-7-23-15(20-13)12-5-16-8-17-12/h4-10H,2-3H2,1H3,(H,16,17)(H,19,22).
What are the key properties of N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide?
N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 167957814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).