4-cyclopropyl-2-(5-fluoro-3-pyridinyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine

C14H13F4N3S — CID 160519210

IUPAC4-cyclopropyl-2-(5-fluoro-3-pyridinyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine
SMILESCN(CC(F)(F)F)c1sc(-c2cncc(F)c2)nc1C1CC1
InChIInChI=1S/C14H13F4N3S/c1-21(7-14(16,17)18)13-11(8-2-3-8)20-12(22-13)9-4-10(15)6-19-5-9/h4-6,8H,2-3,7H2,1H3
InChIKeyYSQRVVPSNQUTHK-UHFFFAOYSA-N
MW331.34 g/mol
LogP4.22
Rot. Bonds4

About 4-cyclopropyl-2-(5-fluoro-3-pyridinyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine

4-cyclopropyl-2-(5-fluoro-3-pyridinyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine (PubChem CID 160519210) has the molecular formula C14H13F4N3S and a molecular weight of 331.34 g/mol. Its IUPAC name is 4-cyclopropyl-2-(5-fluoro-3-pyridinyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-cyclopropyl-2-(5-fluoro-3-pyridinyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine
PubChem CID160519210
Molecular FormulaC14H13F4N3S
Molecular Weight331.34 g/mol
Exact Mass331.08
IUPAC Name4-cyclopropyl-2-(5-fluoro-3-pyridinyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine
SMILESCN(CC(F)(F)F)c1sc(-c2cncc(F)c2)nc1C1CC1
InChIInChI=1S/C14H13F4N3S/c1-21(7-14(16,17)18)13-11(8-2-3-8)20-12(22-13)9-4-10(15)6-19-5-9/h4-6,8H,2-3,7H2,1H3
InChIKeyYSQRVVPSNQUTHK-UHFFFAOYSA-N
XLogP4.22
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-cyclopropyl-2-(5-fluoro-3-pyridinyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine with MolForge

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Related Compounds

4-cyclopropyl-2-(5-fluoro-3-pyridinyl)-5-methylsulfonyl-1,3-thiazole
CID 158493392
N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N-methyl-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxamide
CID 59580577
2-(5-fluoro-3-pyridinyl)-4-iodo-5-methyl-1,3-thiazole
CID 118944509
4-bromo-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole
CID 159010576
4-ethyl-2-(5-fluoro-3-pyridinyl)-5-methylsulfanyl-1,3-thiazole
CID 123457778
N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N,2-dimethyl-3-sulfanylpropanamide
CID 126635494
N-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfonylpropanamide
CID 59580718
N-[4-fluoro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N,2-dimethyl-3-methylsulfinylpropanamide
CID 59580438
2-(5-fluoro-3-pyridinyl)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 58236205
[4-cyclopropyl-2-(3-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methanamine
CID 114361984
N,N-dimethyl-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-amine;N-ethyl-N-methyl-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-amine;2-(5-fluoro-3-pyridinyl)-N,N-dimethyl-4-(trifluoromethyl)-1,3-thiazol-5-amine;2-(5-fluoro-3-pyridinyl)-5-methylsulfinyl-4-(trifluoromethyl)-1,3-thiazole;2-(5-fluoro-3-pyridinyl)-N-methyl-4-(trifluoromethyl)-1,3-thiazol-5-amine;N-methyl-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-amine;5-methylsulfinyl-2-pyridin-3-yl-4-(trifluoromethyl)-1,3-thiazole
CID 160832720
propan-2-yl N-[2-(5-fluoro-3-pyridinyl)-4-iodo-1,3-thiazol-5-yl]-N-methylcarbamate
CID 118944690

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(5-fluoro-3-pyridinyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine?
The IUPAC name of 4-cyclopropyl-2-(5-fluoro-3-pyridinyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine (CID 160519210) is 4-cyclopropyl-2-(5-fluoro-3-pyridinyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine.
What is the SMILES notation for 4-cyclopropyl-2-(5-fluoro-3-pyridinyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine?
The canonical SMILES for 4-cyclopropyl-2-(5-fluoro-3-pyridinyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine is CN(CC(F)(F)F)c1sc(-c2cncc(F)c2)nc1C1CC1.
What is the InChIKey of 4-cyclopropyl-2-(5-fluoro-3-pyridinyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine?
The InChIKey is YSQRVVPSNQUTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4N3S/c1-21(7-14(16,17)18)13-11(8-2-3-8)20-12(22-13)9-4-10(15)6-19-5-9/h4-6,8H,2-3,7H2,1H3.
What are the key properties of 4-cyclopropyl-2-(5-fluoro-3-pyridinyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine?
4-cyclopropyl-2-(5-fluoro-3-pyridinyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine has a molecular weight of 331.34 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(5-fluoro-3-pyridinyl)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-5-amine is sourced from PubChem (CID 160519210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).