2-(2-fluorophenyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide;hydrochloride

C18H18ClFN4OS2 — CID 120998344

IUPAC2-(2-fluorophenyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ncc(C2CCNCC2)s1)c1cnc(-c2ccccc2F)s1
InChIInChI=1S/C18H17FN4OS2.ClH/c19-13-4-2-1-3-12(13)17-21-10-15(25-17)16(24)23-18-22-9-14(26-18)11-5-7-20-8-6-11;/h1-4,9-11,20H,5-8H2,(H,22,23,24);1H
InChIKeyRFPQKWDTJBDAEI-UHFFFAOYSA-N
MW424.95 g/mol
LogP4.55
Rot. Bonds4

About 2-(2-fluorophenyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide;hydrochloride

2-(2-fluorophenyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide;hydrochloride (PubChem CID 120998344) has the molecular formula C18H18ClFN4OS2 and a molecular weight of 424.95 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide;hydrochloride
PubChem CID120998344
Molecular FormulaC18H18ClFN4OS2
Molecular Weight424.95 g/mol
Exact Mass424.06
IUPAC Name2-(2-fluorophenyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ncc(C2CCNCC2)s1)c1cnc(-c2ccccc2F)s1
InChIInChI=1S/C18H17FN4OS2.ClH/c19-13-4-2-1-3-12(13)17-21-10-15(25-17)16(24)23-18-22-9-14(26-18)11-5-7-20-8-6-11;/h1-4,9-11,20H,5-8H2,(H,22,23,24);1H
InChIKeyRFPQKWDTJBDAEI-UHFFFAOYSA-N
XLogP4.55
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyclopropyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide;hydrochloride
CID 120998626
5-(2-chlorophenyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide;hydrochloride
CID 120998124
2-(1-ethoxyethyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 120998289
6-methyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 120998297
2,6-dimethyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide;hydrochloride
CID 120998258
N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;hydrochloride
CID 120998482
N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 167781477
N-[2-oxo-2-[(5-piperidin-4-yl-1,3-thiazol-2-yl)amino]ethyl]pyridine-2-carboxamide
CID 120998369
2-(2-phenylethyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 120998549
3-(2,2-difluoroethoxy)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 120998545
N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 120998625
2-(2-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1,3-thiazole-5-carboxamide
CID 111661369

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide;hydrochloride?
The IUPAC name of 2-(2-fluorophenyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide;hydrochloride (CID 120998344) is 2-(2-fluorophenyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-fluorophenyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-fluorophenyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide;hydrochloride is Cl.O=C(Nc1ncc(C2CCNCC2)s1)c1cnc(-c2ccccc2F)s1.
What is the InChIKey of 2-(2-fluorophenyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide;hydrochloride?
The InChIKey is RFPQKWDTJBDAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4OS2.ClH/c19-13-4-2-1-3-12(13)17-21-10-15(25-17)16(24)23-18-22-9-14(26-18)11-5-7-20-8-6-11;/h1-4,9-11,20H,5-8H2,(H,22,23,24);1H.
What are the key properties of 2-(2-fluorophenyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide;hydrochloride?
2-(2-fluorophenyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide;hydrochloride has a molecular weight of 424.95 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 120998344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).