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

C19H22F3N3OS — CID 71884591

IUPAC4-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NC1CCN(C(C)C)C1
InChIInChI=1S/C19H22F3N3OS/c1-11(2)25-9-8-15(10-25)24-17(26)16-12(3)23-18(27-16)13-4-6-14(7-5-13)19(20,21)22/h4-7,11,15H,8-10H2,1-3H3,(H,24,26)
InChIKeyAMHRMNSHAWDROM-UHFFFAOYSA-N
MW397.47 g/mol
LogP4.35
Rot. Bonds4

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

4-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 71884591) has the molecular formula C19H22F3N3OS and a molecular weight of 397.47 g/mol. Its IUPAC name is 4-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID71884591
Molecular FormulaC19H22F3N3OS
Molecular Weight397.47 g/mol
Exact Mass397.14
IUPAC Name4-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NC1CCN(C(C)C)C1
InChIInChI=1S/C19H22F3N3OS/c1-11(2)25-9-8-15(10-25)24-17(26)16-12(3)23-18(27-16)13-4-6-14(7-5-13)19(20,21)22/h4-7,11,15H,8-10H2,1-3H3,(H,24,26)
InChIKeyAMHRMNSHAWDROM-UHFFFAOYSA-N
XLogP4.35
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47839047
4-methyl-2-thiophen-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 55708434
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 59338093
N-cyclododecyl-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788187
4-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
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4-methyl-N-pyrimidin-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 29368838
N-cyclopentyl-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 18227661
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CID 55899419
4-methyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 30371650
[(3R)-3-(4-fluorophenyl)piperidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanone
CID 141089609
N-(2-bromophenyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 30345026
2-(4-chlorophenyl)-4-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119452782

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (CID 71884591) is 4-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NC1CCN(C(C)C)C1.
What is the InChIKey of 4-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is AMHRMNSHAWDROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3OS/c1-11(2)25-9-8-15(10-25)24-17(26)16-12(3)23-18(27-16)13-4-6-14(7-5-13)19(20,21)22/h4-7,11,15H,8-10H2,1-3H3,(H,24,26).
What are the key properties of 4-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
4-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 397.47 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71884591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).