N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide;hydrochloride

C17H15ClF3N5OS — CID 67114836

IUPACN-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCc1ncsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1.Cl
InChIInChI=1S/C17H14F3N5OS.ClH/c1-9-15(27-8-22-9)16(26)23-11-4-5-14(21-7-11)25-12(10-2-3-10)6-13(24-25)17(18,19)20;/h4-8,10H,2-3H2,1H3,(H,23,26);1H
InChIKeyXIFWRANKDCBDNF-UHFFFAOYSA-N
MW429.86 g/mol
LogP4.60
Rot. Bonds4

About N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide;hydrochloride

N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide;hydrochloride (PubChem CID 67114836) has the molecular formula C17H15ClF3N5OS and a molecular weight of 429.86 g/mol. Its IUPAC name is N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide;hydrochloride
PubChem CID67114836
Molecular FormulaC17H15ClF3N5OS
Molecular Weight429.86 g/mol
Exact Mass429.06
IUPAC NameN-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCc1ncsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1.Cl
InChIInChI=1S/C17H14F3N5OS.ClH/c1-9-15(27-8-22-9)16(26)23-11-4-5-14(21-7-11)25-12(10-2-3-10)6-13(24-25)17(18,19)20;/h4-8,10H,2-3H2,1H3,(H,23,26);1H
InChIKeyXIFWRANKDCBDNF-UHFFFAOYSA-N
XLogP4.60
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.86
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide;hydrochloride?
The IUPAC name of N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide;hydrochloride (CID 67114836) is N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide;hydrochloride is Cc1ncsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)nc1.Cl.
What is the InChIKey of N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide;hydrochloride?
The InChIKey is XIFWRANKDCBDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5OS.ClH/c1-9-15(27-8-22-9)16(26)23-11-4-5-14(21-7-11)25-12(10-2-3-10)6-13(24-25)17(18,19)20;/h4-8,10H,2-3H2,1H3,(H,23,26);1H.
What are the key properties of N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide;hydrochloride?
N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide;hydrochloride has a molecular weight of 429.86 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 67114836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).