N-(2-carbamoyl-5-methylphenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide

C19H15F3N4O3S — CID 42639277

IUPACN-(2-carbamoyl-5-methylphenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(C(N)=O)c(NC(=O)c2csc(-c3ccc(OCC(F)(F)F)nc3)n2)c1
InChIInChI=1S/C19H15F3N4O3S/c1-10-2-4-12(16(23)27)13(6-10)25-17(28)14-8-30-18(26-14)11-3-5-15(24-7-11)29-9-19(20,21)22/h2-8H,9H2,1H3,(H2,23,27)(H,25,28)
InChIKeyBUPDZIBWWMUCJY-UHFFFAOYSA-N
MW436.42 g/mol
LogP3.81
Rot. Bonds6

About N-(2-carbamoyl-5-methylphenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide

N-(2-carbamoyl-5-methylphenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide (PubChem CID 42639277) has the molecular formula C19H15F3N4O3S and a molecular weight of 436.42 g/mol. Its IUPAC name is N-(2-carbamoyl-5-methylphenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoyl-5-methylphenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide
PubChem CID42639277
Molecular FormulaC19H15F3N4O3S
Molecular Weight436.42 g/mol
Exact Mass436.08
IUPAC NameN-(2-carbamoyl-5-methylphenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(C(N)=O)c(NC(=O)c2csc(-c3ccc(OCC(F)(F)F)nc3)n2)c1
InChIInChI=1S/C19H15F3N4O3S/c1-10-2-4-12(16(23)27)13(6-10)25-17(28)14-8-30-18(26-14)11-3-5-15(24-7-11)29-9-19(20,21)22/h2-8H,9H2,1H3,(H2,23,27)(H,25,28)
InChIKeyBUPDZIBWWMUCJY-UHFFFAOYSA-N
XLogP3.81
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoyl-5-methylphenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-carbamoyl-5-methylphenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide (CID 42639277) is N-(2-carbamoyl-5-methylphenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-carbamoyl-5-methylphenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-carbamoyl-5-methylphenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide is Cc1ccc(C(N)=O)c(NC(=O)c2csc(-c3ccc(OCC(F)(F)F)nc3)n2)c1.
What is the InChIKey of N-(2-carbamoyl-5-methylphenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The InChIKey is BUPDZIBWWMUCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O3S/c1-10-2-4-12(16(23)27)13(6-10)25-17(28)14-8-30-18(26-14)11-3-5-15(24-7-11)29-9-19(20,21)22/h2-8H,9H2,1H3,(H2,23,27)(H,25,28).
What are the key properties of N-(2-carbamoyl-5-methylphenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
N-(2-carbamoyl-5-methylphenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide has a molecular weight of 436.42 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoyl-5-methylphenyl)-2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42639277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).