2-methyl-N-(3-phenylthiophen-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C16H11F3N2OS2 — CID 18925416

IUPAC2-methyl-N-(3-phenylthiophen-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(F)(F)F)c(C(=O)Nc2sccc2-c2ccccc2)s1
InChIInChI=1S/C16H11F3N2OS2/c1-9-20-13(16(17,18)19)12(24-9)14(22)21-15-11(7-8-23-15)10-5-3-2-4-6-10/h2-8H,1H3,(H,21,22)
InChIKeyCZVXRDGFRFSOOM-UHFFFAOYSA-N
MW368.41 g/mol
LogP5.45
Rot. Bonds3

About 2-methyl-N-(3-phenylthiophen-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

2-methyl-N-(3-phenylthiophen-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 18925416) has the molecular formula C16H11F3N2OS2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-methyl-N-(3-phenylthiophen-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3-phenylthiophen-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID18925416
Molecular FormulaC16H11F3N2OS2
Molecular Weight368.41 g/mol
Exact Mass368.03
IUPAC Name2-methyl-N-(3-phenylthiophen-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(F)(F)F)c(C(=O)Nc2sccc2-c2ccccc2)s1
InChIInChI=1S/C16H11F3N2OS2/c1-9-20-13(16(17,18)19)12(24-9)14(22)21-15-11(7-8-23-15)10-5-3-2-4-6-10/h2-8H,1H3,(H,21,22)
InChIKeyCZVXRDGFRFSOOM-UHFFFAOYSA-N
XLogP5.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.41
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-phenylthiophen-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-methyl-N-(3-phenylthiophen-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 18925416) is 2-methyl-N-(3-phenylthiophen-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(3-phenylthiophen-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-(3-phenylthiophen-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is Cc1nc(C(F)(F)F)c(C(=O)Nc2sccc2-c2ccccc2)s1.
What is the InChIKey of 2-methyl-N-(3-phenylthiophen-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is CZVXRDGFRFSOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2OS2/c1-9-20-13(16(17,18)19)12(24-9)14(22)21-15-11(7-8-23-15)10-5-3-2-4-6-10/h2-8H,1H3,(H,21,22).
What are the key properties of 2-methyl-N-(3-phenylthiophen-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
2-methyl-N-(3-phenylthiophen-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-phenylthiophen-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 18925416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).