2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[(1R,2S)-2-(propan-2-ylamino)cyclobutyl]-1,3-thiazole-4-carboxamide

C16H20F3N5OS — CID 133118400

IUPAC2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[(1R,2S)-2-(propan-2-ylamino)cyclobutyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C(F)(F)F)n(-c2nc(C(=O)N[C@@H]3CC[C@@H]3NC(C)C)cs2)n1
InChIInChI=1S/C16H20F3N5OS/c1-8(2)20-10-4-5-11(10)21-14(25)12-7-26-15(22-12)24-13(16(17,18)19)6-9(3)23-24/h6-8,10-11,20H,4-5H2,1-3H3,(H,21,25)/t10-,11+/m0/s1
InChIKeyRAPSFJSNCTYVCC-WDEREUQCSA-N
MW387.43 g/mol
LogP2.91
Rot. Bonds5

About 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[(1R,2S)-2-(propan-2-ylamino)cyclobutyl]-1,3-thiazole-4-carboxamide

2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[(1R,2S)-2-(propan-2-ylamino)cyclobutyl]-1,3-thiazole-4-carboxamide (PubChem CID 133118400) has the molecular formula C16H20F3N5OS and a molecular weight of 387.43 g/mol. Its IUPAC name is 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[(1R,2S)-2-(propan-2-ylamino)cyclobutyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[(1R,2S)-2-(propan-2-ylamino)cyclobutyl]-1,3-thiazole-4-carboxamide
PubChem CID133118400
Molecular FormulaC16H20F3N5OS
Molecular Weight387.43 g/mol
Exact Mass387.13
IUPAC Name2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[(1R,2S)-2-(propan-2-ylamino)cyclobutyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C(F)(F)F)n(-c2nc(C(=O)N[C@@H]3CC[C@@H]3NC(C)C)cs2)n1
InChIInChI=1S/C16H20F3N5OS/c1-8(2)20-10-4-5-11(10)21-14(25)12-7-26-15(22-12)24-13(16(17,18)19)6-9(3)23-24/h6-8,10-11,20H,4-5H2,1-3H3,(H,21,25)/t10-,11+/m0/s1
InChIKeyRAPSFJSNCTYVCC-WDEREUQCSA-N
XLogP2.91
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[(1R,2S)-2-(propan-2-ylamino)cyclobutyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[(1R,2S)-2-(propan-2-ylamino)cyclobutyl]-1,3-thiazole-4-carboxamide (CID 133118400) is 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[(1R,2S)-2-(propan-2-ylamino)cyclobutyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[(1R,2S)-2-(propan-2-ylamino)cyclobutyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[(1R,2S)-2-(propan-2-ylamino)cyclobutyl]-1,3-thiazole-4-carboxamide is Cc1cc(C(F)(F)F)n(-c2nc(C(=O)N[C@@H]3CC[C@@H]3NC(C)C)cs2)n1.
What is the InChIKey of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[(1R,2S)-2-(propan-2-ylamino)cyclobutyl]-1,3-thiazole-4-carboxamide?
The InChIKey is RAPSFJSNCTYVCC-WDEREUQCSA-N. The full InChI is InChI=1S/C16H20F3N5OS/c1-8(2)20-10-4-5-11(10)21-14(25)12-7-26-15(22-12)24-13(16(17,18)19)6-9(3)23-24/h6-8,10-11,20H,4-5H2,1-3H3,(H,21,25)/t10-,11+/m0/s1.
What are the key properties of 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[(1R,2S)-2-(propan-2-ylamino)cyclobutyl]-1,3-thiazole-4-carboxamide?
2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[(1R,2S)-2-(propan-2-ylamino)cyclobutyl]-1,3-thiazole-4-carboxamide has a molecular weight of 387.43 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[(1R,2S)-2-(propan-2-ylamino)cyclobutyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 133118400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).