N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

C16H12F3N3O2S — CID 70779098

IUPACN-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCN(Cc1ccno1)C(=O)c1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C16H12F3N3O2S/c1-22(8-12-6-7-20-24-12)15(23)13-9-25-14(21-13)10-2-4-11(5-3-10)16(17,18)19/h2-7,9H,8H2,1H3
InChIKeyCMQXPLMFNRZWFJ-UHFFFAOYSA-N
MW367.35 g/mol
LogP4.09
Rot. Bonds4

About N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 70779098) has the molecular formula C16H12F3N3O2S and a molecular weight of 367.35 g/mol. Its IUPAC name is N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID70779098
Molecular FormulaC16H12F3N3O2S
Molecular Weight367.35 g/mol
Exact Mass367.06
IUPAC NameN-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCN(Cc1ccno1)C(=O)c1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C16H12F3N3O2S/c1-22(8-12-6-7-20-24-12)15(23)13-9-25-14(21-13)10-2-4-11(5-3-10)16(17,18)19/h2-7,9H,8H2,1H3
InChIKeyCMQXPLMFNRZWFJ-UHFFFAOYSA-N
XLogP4.09
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (CID 70779098) is N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is CN(Cc1ccno1)C(=O)c1csc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is CMQXPLMFNRZWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2S/c1-22(8-12-6-7-20-24-12)15(23)13-9-25-14(21-13)10-2-4-11(5-3-10)16(17,18)19/h2-7,9H,8H2,1H3.
What are the key properties of N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 367.35 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70779098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).