2,2-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide

C16H17F3N4OS — CID 119044444

IUPAC2,2-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESCC1(C)C(C(F)(F)F)CCN1C(=O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C16H17F3N4OS/c1-15(2)11(16(17,18)19)8-9-23(15)14(24)20-13-22-21-12(25-13)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,20,22,24)
InChIKeyDBRVRTGVLIYDRQ-UHFFFAOYSA-N
MW370.40 g/mol
LogP4.40
Rot. Bonds2

About 2,2-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide

2,2-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide (PubChem CID 119044444) has the molecular formula C16H17F3N4OS and a molecular weight of 370.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide
PubChem CID119044444
Molecular FormulaC16H17F3N4OS
Molecular Weight370.40 g/mol
Exact Mass370.11
IUPAC Name2,2-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESCC1(C)C(C(F)(F)F)CCN1C(=O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C16H17F3N4OS/c1-15(2)11(16(17,18)19)8-9-23(15)14(24)20-13-22-21-12(25-13)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,20,22,24)
InChIKeyDBRVRTGVLIYDRQ-UHFFFAOYSA-N
XLogP4.40
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 124855773
1-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
CID 56808851
N-(6-methoxy-1,3-benzothiazol-2-yl)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 119044853
tert-butyl 4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 60600812
2,2-dimethyl-N-[1-(3-methylbutyl)pyrazol-3-yl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 119044985
2,2-dimethyl-N-[4-(oxetan-3-yloxy)phenyl]-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 119045013
(2R)-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 1451460
(2S)-2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 7092310
N-(1,3-benzothiazol-2-yl)-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide
CID 119047498
(3S)-N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 100675610
1-cyano-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 118981045
1-(furan-2-carbonyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 27831080

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2,2-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide (CID 119044444) is 2,2-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide is CC1(C)C(C(F)(F)F)CCN1C(=O)Nc1nnc(-c2ccccc2)s1.
What is the InChIKey of 2,2-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The InChIKey is DBRVRTGVLIYDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4OS/c1-15(2)11(16(17,18)19)8-9-23(15)14(24)20-13-22-21-12(25-13)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,20,22,24).
What are the key properties of 2,2-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
2,2-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide has a molecular weight of 370.40 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 119044444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).