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

C16H14FN3OS2 — CID 7541003

IUPACN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)s1
InChIInChI=1S/C16H14FN3OS2/c1-8-14(23-10(3)18-8)15(21)20-16-19-13(9(2)22-16)11-4-6-12(17)7-5-11/h4-7H,1-3H3,(H,19,20,21)
InChIKeyFWEYAKJDDSCFRQ-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.58
Rot. Bonds3

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

N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 7541003) has the molecular formula C16H14FN3OS2 and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID7541003
Molecular FormulaC16H14FN3OS2
Molecular Weight347.44 g/mol
Exact Mass347.06
IUPAC NameN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)s1
InChIInChI=1S/C16H14FN3OS2/c1-8-14(23-10(3)18-8)15(21)20-16-19-13(9(2)22-16)11-4-6-12(17)7-5-11/h4-7H,1-3H3,(H,19,20,21)
InChIKeyFWEYAKJDDSCFRQ-UHFFFAOYSA-N
XLogP4.58
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 7541003) is N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)s1.
What is the InChIKey of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is FWEYAKJDDSCFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3OS2/c1-8-14(23-10(3)18-8)15(21)20-16-19-13(9(2)22-16)11-4-6-12(17)7-5-11/h4-7H,1-3H3,(H,19,20,21).
What are the key properties of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 7541003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).