(NZ)-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]imidazole-1-carboxamide

C15H11F3N4OS — CID 87450752

IUPAC(NZ)-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]imidazole-1-carboxamide
SMILESCc1cn(-c2ccc(C(F)(F)F)cc2)/c(=N/C(=O)n2ccnc2)s1
InChIInChI=1S/C15H11F3N4OS/c1-10-8-22(12-4-2-11(3-5-12)15(16,17)18)14(24-10)20-13(23)21-7-6-19-9-21/h2-9H,1H3/b20-14-
InChIKeyNCZWXRGZHGSFTD-ZHZULCJRSA-N
MW352.34 g/mol
LogP3.63
Rot. Bonds1

About (NZ)-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]imidazole-1-carboxamide

(NZ)-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]imidazole-1-carboxamide (PubChem CID 87450752) has the molecular formula C15H11F3N4OS and a molecular weight of 352.34 g/mol. Its IUPAC name is (NZ)-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]imidazole-1-carboxamide.

Molecular Properties

Compound Name(NZ)-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]imidazole-1-carboxamide
PubChem CID87450752
Molecular FormulaC15H11F3N4OS
Molecular Weight352.34 g/mol
Exact Mass352.06
IUPAC Name(NZ)-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]imidazole-1-carboxamide
SMILESCc1cn(-c2ccc(C(F)(F)F)cc2)/c(=N/C(=O)n2ccnc2)s1
InChIInChI=1S/C15H11F3N4OS/c1-10-8-22(12-4-2-11(3-5-12)15(16,17)18)14(24-10)20-13(23)21-7-6-19-9-21/h2-9H,1H3/b20-14-
InChIKeyNCZWXRGZHGSFTD-ZHZULCJRSA-N
XLogP3.63
TPSA52.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]imidazole-1-carboxamide?
The IUPAC name of (NZ)-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]imidazole-1-carboxamide (CID 87450752) is (NZ)-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]imidazole-1-carboxamide.
What is the SMILES notation for (NZ)-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]imidazole-1-carboxamide?
The canonical SMILES for (NZ)-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]imidazole-1-carboxamide is Cc1cn(-c2ccc(C(F)(F)F)cc2)/c(=N/C(=O)n2ccnc2)s1.
What is the InChIKey of (NZ)-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]imidazole-1-carboxamide?
The InChIKey is NCZWXRGZHGSFTD-ZHZULCJRSA-N. The full InChI is InChI=1S/C15H11F3N4OS/c1-10-8-22(12-4-2-11(3-5-12)15(16,17)18)14(24-10)20-13(23)21-7-6-19-9-21/h2-9H,1H3/b20-14-.
What are the key properties of (NZ)-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]imidazole-1-carboxamide?
(NZ)-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]imidazole-1-carboxamide has a molecular weight of 352.34 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]imidazole-1-carboxamide is sourced from PubChem (CID 87450752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).