[(4-fluorophenyl)methylamino]-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]methanol

C16H15FN4OS — CID 123570427

IUPAC[(4-fluorophenyl)methylamino]-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]methanol
SMILESOC(NCc1ccc(F)cc1)Nc1nc(-c2ccncc2)cs1
InChIInChI=1S/C16H15FN4OS/c17-13-3-1-11(2-4-13)9-19-15(22)21-16-20-14(10-23-16)12-5-7-18-8-6-12/h1-8,10,15,19,22H,9H2,(H,20,21)
InChIKeyAADLXPPYEFZXSY-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.82
Rot. Bonds6

About [(4-fluorophenyl)methylamino]-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]methanol

[(4-fluorophenyl)methylamino]-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]methanol (PubChem CID 123570427) has the molecular formula C16H15FN4OS and a molecular weight of 330.39 g/mol. Its IUPAC name is [(4-fluorophenyl)methylamino]-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]methanol.

Molecular Properties

Compound Name[(4-fluorophenyl)methylamino]-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]methanol
PubChem CID123570427
Molecular FormulaC16H15FN4OS
Molecular Weight330.39 g/mol
Exact Mass330.10
IUPAC Name[(4-fluorophenyl)methylamino]-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]methanol
SMILESOC(NCc1ccc(F)cc1)Nc1nc(-c2ccncc2)cs1
InChIInChI=1S/C16H15FN4OS/c17-13-3-1-11(2-4-13)9-19-15(22)21-16-20-14(10-23-16)12-5-7-18-8-6-12/h1-8,10,15,19,22H,9H2,(H,20,21)
InChIKeyAADLXPPYEFZXSY-UHFFFAOYSA-N
XLogP2.82
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine;hydrochloride
CID 163328871
2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-4-methylpentan-1-ol
CID 133372516
N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 1132723
1-[(4-methylphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 87405083
N-[[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55756086
N-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine
CID 99697962
N-(cyclopropylmethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 133371002
N-[2-[4-[2-[(4-fluorophenyl)methylamino]-1,3-thiazol-4-yl]phenyl]ethyl]methanesulfonamide
CID 24603213
N,4-bis(4-fluorophenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2840600
N-benzyl-4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-amine
CID 130556959
2-(4-methylphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 43951124
2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1133114

Frequently Asked Questions

What is the IUPAC name of [(4-fluorophenyl)methylamino]-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]methanol?
The IUPAC name of [(4-fluorophenyl)methylamino]-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]methanol (CID 123570427) is [(4-fluorophenyl)methylamino]-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]methanol.
What is the SMILES notation for [(4-fluorophenyl)methylamino]-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]methanol?
The canonical SMILES for [(4-fluorophenyl)methylamino]-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]methanol is OC(NCc1ccc(F)cc1)Nc1nc(-c2ccncc2)cs1.
What is the InChIKey of [(4-fluorophenyl)methylamino]-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]methanol?
The InChIKey is AADLXPPYEFZXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4OS/c17-13-3-1-11(2-4-13)9-19-15(22)21-16-20-14(10-23-16)12-5-7-18-8-6-12/h1-8,10,15,19,22H,9H2,(H,20,21).
What are the key properties of [(4-fluorophenyl)methylamino]-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]methanol?
[(4-fluorophenyl)methylamino]-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]methanol has a molecular weight of 330.39 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-fluorophenyl)methylamino]-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]methanol is sourced from PubChem (CID 123570427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).