N-[(4-fluorophenyl)methyl]-5-(2-methylpropyl)-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

C19H20FN3OS2 — CID 53257757

IUPACN-[(4-fluorophenyl)methyl]-5-(2-methylpropyl)-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1cnc(-c2nc(C(=O)NCc3ccc(F)cc3)c(CC(C)C)s2)s1
InChIInChI=1S/C19H20FN3OS2/c1-11(2)8-15-16(23-19(26-15)18-22-9-12(3)25-18)17(24)21-10-13-4-6-14(20)7-5-13/h4-7,9,11H,8,10H2,1-3H3,(H,21,24)
InChIKeyHODQPQNRCXRALX-UHFFFAOYSA-N
MW389.52 g/mol
LogP4.84
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-5-(2-methylpropyl)-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

N-[(4-fluorophenyl)methyl]-5-(2-methylpropyl)-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 53257757) has the molecular formula C19H20FN3OS2 and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-(2-methylpropyl)-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-(2-methylpropyl)-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID53257757
Molecular FormulaC19H20FN3OS2
Molecular Weight389.52 g/mol
Exact Mass389.10
IUPAC NameN-[(4-fluorophenyl)methyl]-5-(2-methylpropyl)-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCc1cnc(-c2nc(C(=O)NCc3ccc(F)cc3)c(CC(C)C)s2)s1
InChIInChI=1S/C19H20FN3OS2/c1-11(2)8-15-16(23-19(26-15)18-22-9-12(3)25-18)17(24)21-10-13-4-6-14(20)7-5-13/h4-7,9,11H,8,10H2,1-3H3,(H,21,24)
InChIKeyHODQPQNRCXRALX-UHFFFAOYSA-N
XLogP4.84
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-(2-methylpropyl)-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-(2-methylpropyl)-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 53257757) is N-[(4-fluorophenyl)methyl]-5-(2-methylpropyl)-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-(2-methylpropyl)-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-(2-methylpropyl)-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is Cc1cnc(-c2nc(C(=O)NCc3ccc(F)cc3)c(CC(C)C)s2)s1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-(2-methylpropyl)-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is HODQPQNRCXRALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3OS2/c1-11(2)8-15-16(23-19(26-15)18-22-9-12(3)25-18)17(24)21-10-13-4-6-14(20)7-5-13/h4-7,9,11H,8,10H2,1-3H3,(H,21,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-(2-methylpropyl)-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
N-[(4-fluorophenyl)methyl]-5-(2-methylpropyl)-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 389.52 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-(2-methylpropyl)-2-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53257757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).