4-propan-2-yl-2-pyrrol-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide

C19H18F3N3OS — CID 53134356

IUPAC4-propan-2-yl-2-pyrrol-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)c1nc(-n2cccc2)sc1C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H18F3N3OS/c1-12(2)15-16(27-18(24-15)25-8-3-4-9-25)17(26)23-11-13-6-5-7-14(10-13)19(20,21)22/h3-10,12H,11H2,1-2H3,(H,23,26)
InChIKeyPFCAORPTSMSQHP-UHFFFAOYSA-N
MW393.43 g/mol
LogP5.01
Rot. Bonds5

About 4-propan-2-yl-2-pyrrol-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide

4-propan-2-yl-2-pyrrol-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 53134356) has the molecular formula C19H18F3N3OS and a molecular weight of 393.43 g/mol. Its IUPAC name is 4-propan-2-yl-2-pyrrol-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-propan-2-yl-2-pyrrol-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID53134356
Molecular FormulaC19H18F3N3OS
Molecular Weight393.43 g/mol
Exact Mass393.11
IUPAC Name4-propan-2-yl-2-pyrrol-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)c1nc(-n2cccc2)sc1C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H18F3N3OS/c1-12(2)15-16(27-18(24-15)25-8-3-4-9-25)17(26)23-11-13-6-5-7-14(10-13)19(20,21)22/h3-10,12H,11H2,1-2H3,(H,23,26)
InChIKeyPFCAORPTSMSQHP-UHFFFAOYSA-N
XLogP5.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.43
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-pyrrol-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-propan-2-yl-2-pyrrol-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide (CID 53134356) is 4-propan-2-yl-2-pyrrol-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-propan-2-yl-2-pyrrol-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-propan-2-yl-2-pyrrol-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide is CC(C)c1nc(-n2cccc2)sc1C(=O)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-propan-2-yl-2-pyrrol-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is PFCAORPTSMSQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3OS/c1-12(2)15-16(27-18(24-15)25-8-3-4-9-25)17(26)23-11-13-6-5-7-14(10-13)19(20,21)22/h3-10,12H,11H2,1-2H3,(H,23,26).
What are the key properties of 4-propan-2-yl-2-pyrrol-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
4-propan-2-yl-2-pyrrol-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 393.43 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-pyrrol-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53134356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).