4-acetyl-1-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide

C19H16F3N3O2S — CID 78843674

IUPAC4-acetyl-1-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide
SMILESCC(=O)c1cc(C(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)n(C)c1
InChIInChI=1S/C19H16F3N3O2S/c1-11(26)13-8-16(25(2)10-13)17(27)24-18-23-9-15(28-18)7-12-3-5-14(6-4-12)19(20,21)22/h3-6,8-10H,7H2,1-2H3,(H,23,24,27)
InChIKeySRXHNHYHAXNDLI-UHFFFAOYSA-N
MW407.42 g/mol
LogP4.55
Rot. Bonds5

About 4-acetyl-1-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide

4-acetyl-1-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide (PubChem CID 78843674) has the molecular formula C19H16F3N3O2S and a molecular weight of 407.42 g/mol. Its IUPAC name is 4-acetyl-1-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-1-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide
PubChem CID78843674
Molecular FormulaC19H16F3N3O2S
Molecular Weight407.42 g/mol
Exact Mass407.09
IUPAC Name4-acetyl-1-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide
SMILESCC(=O)c1cc(C(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)n(C)c1
InChIInChI=1S/C19H16F3N3O2S/c1-11(26)13-8-16(25(2)10-13)17(27)24-18-23-9-15(28-18)7-12-3-5-14(6-4-12)19(20,21)22/h3-6,8-10H,7H2,1-2H3,(H,23,24,27)
InChIKeySRXHNHYHAXNDLI-UHFFFAOYSA-N
XLogP4.55
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phosphanyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 90448889
(2S)-2-amino-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide
CID 119278159
2-(2-oxopiperidin-1-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 78869515
5-(5-methylfuran-2-yl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 167867162
3-ethyl-1-methyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-5-carboxamide
CID 46970156
2-(cyclopropylmethylamino)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 119702595
4-ethyl-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 18876296
2-(2-amino-2-oxoethoxy)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 78843675
4-amino-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide
CID 119278170
2-ethoxy-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide
CID 78874341
4-acetyl-1-methyl-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide
CID 87026694
2-amino-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pentanamide
CID 119278166

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-1-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-1-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide (CID 78843674) is 4-acetyl-1-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-1-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-1-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide is CC(=O)c1cc(C(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)n(C)c1.
What is the InChIKey of 4-acetyl-1-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide?
The InChIKey is SRXHNHYHAXNDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2S/c1-11(26)13-8-16(25(2)10-13)17(27)24-18-23-9-15(28-18)7-12-3-5-14(6-4-12)19(20,21)22/h3-6,8-10H,7H2,1-2H3,(H,23,24,27).
What are the key properties of 4-acetyl-1-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide?
4-acetyl-1-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide has a molecular weight of 407.42 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-1-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide is sourced from PubChem (CID 78843674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).