1-cyclopentyl-2-methyl-5-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]pyrrole-3-carboxamide

C21H20F3N3O2S — CID 134082111

IUPAC1-cyclopentyl-2-methyl-5-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]pyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(-c2csc(-c3ccc(OC(F)(F)F)cc3)n2)n1C1CCCC1
InChIInChI=1S/C21H20F3N3O2S/c1-12-16(19(25)28)10-18(27(12)14-4-2-3-5-14)17-11-30-20(26-17)13-6-8-15(9-7-13)29-21(22,23)24/h6-11,14H,2-5H2,1H3,(H2,25,28)
InChIKeyGABQXZVVVFJLPJ-UHFFFAOYSA-N
MW435.47 g/mol
LogP5.70
Rot. Bonds5

About 1-cyclopentyl-2-methyl-5-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]pyrrole-3-carboxamide

1-cyclopentyl-2-methyl-5-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]pyrrole-3-carboxamide (PubChem CID 134082111) has the molecular formula C21H20F3N3O2S and a molecular weight of 435.47 g/mol. Its IUPAC name is 1-cyclopentyl-2-methyl-5-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-2-methyl-5-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]pyrrole-3-carboxamide
PubChem CID134082111
Molecular FormulaC21H20F3N3O2S
Molecular Weight435.47 g/mol
Exact Mass435.12
IUPAC Name1-cyclopentyl-2-methyl-5-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]pyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(-c2csc(-c3ccc(OC(F)(F)F)cc3)n2)n1C1CCCC1
InChIInChI=1S/C21H20F3N3O2S/c1-12-16(19(25)28)10-18(27(12)14-4-2-3-5-14)17-11-30-20(26-17)13-6-8-15(9-7-13)29-21(22,23)24/h6-11,14H,2-5H2,1H3,(H2,25,28)
InChIKeyGABQXZVVVFJLPJ-UHFFFAOYSA-N
XLogP5.70
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.47
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-2-methyl-5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyrrole-3-carboxamide
CID 134082126
N-butan-2-yl-1-cyclohexyl-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide
CID 58740176
N-benzyl-1-cyclohexyl-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N,2-dimethylpyrrole-3-carboxamide
CID 134082484
ethyl 1-[1-cyclohexyl-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carbonyl]piperidine-4-carboxylate
CID 134082419
methyl 2-acetamido-6-[3-carbamoyl-2-methyl-5-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]pyrrol-1-yl]hexanoate
CID 3855758
1-cyclopentyl-2-methyl-5-[2-(propylamino)-1,3-thiazol-4-yl]pyrrole-3-carboxamide
CID 134082343
5-[2-(benzylamino)-1,3-thiazol-4-yl]-1-cyclopropyl-2-methylpyrrole-3-carboxamide
CID 134082283
1-(cyclohexylmethyl)-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 134081994
1-cyclopentyl-2-[4-(trifluoromethoxy)phenyl]benzimidazole-5-carboxamide
CID 23515827
4-(1-cyclohexyl-5-methyl-4-pent-1-en-2-ylpyrrol-2-yl)-2-(3-ethylphenyl)-1,3-thiazole;molecular hydrogen
CID 142919811
2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-pentan-3-ylpyrrole-3-carboxamide
CID 134082087
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 134081993

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-methyl-5-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]pyrrole-3-carboxamide?
The IUPAC name of 1-cyclopentyl-2-methyl-5-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]pyrrole-3-carboxamide (CID 134082111) is 1-cyclopentyl-2-methyl-5-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-2-methyl-5-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]pyrrole-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-2-methyl-5-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]pyrrole-3-carboxamide is Cc1c(C(N)=O)cc(-c2csc(-c3ccc(OC(F)(F)F)cc3)n2)n1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-methyl-5-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]pyrrole-3-carboxamide?
The InChIKey is GABQXZVVVFJLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O2S/c1-12-16(19(25)28)10-18(27(12)14-4-2-3-5-14)17-11-30-20(26-17)13-6-8-15(9-7-13)29-21(22,23)24/h6-11,14H,2-5H2,1H3,(H2,25,28).
What are the key properties of 1-cyclopentyl-2-methyl-5-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]pyrrole-3-carboxamide?
1-cyclopentyl-2-methyl-5-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]pyrrole-3-carboxamide has a molecular weight of 435.47 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-methyl-5-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]pyrrole-3-carboxamide is sourced from PubChem (CID 134082111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).