N-(4-propyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)benzamide

C18H20F3N3OS — CID 154789452

IUPACN-(4-propyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)benzamide
SMILESCCCc1csc(NC(=O)c2ccc(C(F)(F)F)cc2N2CCCC2)n1
InChIInChI=1S/C18H20F3N3OS/c1-2-5-13-11-26-17(22-13)23-16(25)14-7-6-12(18(19,20)21)10-15(14)24-8-3-4-9-24/h6-7,10-11H,2-5,8-9H2,1H3,(H,22,23,25)
InChIKeyNZMQOZAHCSTJPR-UHFFFAOYSA-N
MW383.44 g/mol
LogP4.97
Rot. Bonds5

About N-(4-propyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)benzamide

N-(4-propyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)benzamide (PubChem CID 154789452) has the molecular formula C18H20F3N3OS and a molecular weight of 383.44 g/mol. Its IUPAC name is N-(4-propyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-propyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)benzamide
PubChem CID154789452
Molecular FormulaC18H20F3N3OS
Molecular Weight383.44 g/mol
Exact Mass383.13
IUPAC NameN-(4-propyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)benzamide
SMILESCCCc1csc(NC(=O)c2ccc(C(F)(F)F)cc2N2CCCC2)n1
InChIInChI=1S/C18H20F3N3OS/c1-2-5-13-11-26-17(22-13)23-16(25)14-7-6-12(18(19,20)21)10-15(14)24-8-3-4-9-24/h6-7,10-11H,2-5,8-9H2,1H3,(H,22,23,25)
InChIKeyNZMQOZAHCSTJPR-UHFFFAOYSA-N
XLogP4.97
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-piperidin-1-yl-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 86705207
4-tert-butyl-2-piperidin-1-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzamide
CID 135058197
N-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 169489159
N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 24586670
2-(1-propylpiperidin-4-yl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 59209691
4-methoxy-N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]benzamide
CID 41160062
3-chloro-4-methyl-N-(4-propyl-1,3-thiazol-2-yl)benzamide;sulfur dioxide
CID 158062349
2-[1-(ethylcarbamoyl)piperidin-4-yl]-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 59209198
(3R)-1-propanoyl-N-(4-propyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 99618269
4-chloro-N-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]benzamide
CID 41160059
2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]acetamide
CID 3970290
N-[4-[(4,4-difluoropiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 172559940

Frequently Asked Questions

What is the IUPAC name of N-(4-propyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-propyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)benzamide (CID 154789452) is N-(4-propyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-propyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-propyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)benzamide is CCCc1csc(NC(=O)c2ccc(C(F)(F)F)cc2N2CCCC2)n1.
What is the InChIKey of N-(4-propyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)benzamide?
The InChIKey is NZMQOZAHCSTJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3OS/c1-2-5-13-11-26-17(22-13)23-16(25)14-7-6-12(18(19,20)21)10-15(14)24-8-3-4-9-24/h6-7,10-11H,2-5,8-9H2,1H3,(H,22,23,25).
What are the key properties of N-(4-propyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)benzamide?
N-(4-propyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)benzamide has a molecular weight of 383.44 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 154789452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).