5-chloro-3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine

C11H11ClFN3S — CID 79728660

IUPAC5-chloro-3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine
SMILESCc1csc(CCNc2ncc(Cl)cc2F)n1
InChIInChI=1S/C11H11ClFN3S/c1-7-6-17-10(16-7)2-3-14-11-9(13)4-8(12)5-15-11/h4-6H,2-3H2,1H3,(H,14,15)
InChIKeyMECSMXDBRMLGIO-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.29
Rot. Bonds4

About 5-chloro-3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine

5-chloro-3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine (PubChem CID 79728660) has the molecular formula C11H11ClFN3S and a molecular weight of 271.75 g/mol. Its IUPAC name is 5-chloro-3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine
PubChem CID79728660
Molecular FormulaC11H11ClFN3S
Molecular Weight271.75 g/mol
Exact Mass271.03
IUPAC Name5-chloro-3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine
SMILESCc1csc(CCNc2ncc(Cl)cc2F)n1
InChIInChI=1S/C11H11ClFN3S/c1-7-6-17-10(16-7)2-3-14-11-9(13)4-8(12)5-15-11/h4-6H,2-3H2,1H3,(H,14,15)
InChIKeyMECSMXDBRMLGIO-UHFFFAOYSA-N
XLogP3.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
CID 94280499
2,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 79632210
5-bromo-3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 79717686
6-chloro-5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 63729718
5-chloro-2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
CID 82122899
3,5-dichloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine
CID 60706662
5-chloro-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80828978
3,5-dichloro-2-N-ethyl-6-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,6-diamine
CID 102758195
5-chloro-2-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80828020
5-chloro-3-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 75377092
2-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine
CID 103756472
5-chloro-3-fluoro-N-(2-fluoroethyl)pyridin-2-amine
CID 130478073

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine?
The IUPAC name of 5-chloro-3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine (CID 79728660) is 5-chloro-3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine is Cc1csc(CCNc2ncc(Cl)cc2F)n1.
What is the InChIKey of 5-chloro-3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine?
The InChIKey is MECSMXDBRMLGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3S/c1-7-6-17-10(16-7)2-3-14-11-9(13)4-8(12)5-15-11/h4-6H,2-3H2,1H3,(H,14,15).
What are the key properties of 5-chloro-3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine?
5-chloro-3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine has a molecular weight of 271.75 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 79728660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).