[2,3-difluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methanamine

C13H14F2N2S — CID 58112143

IUPAC[2,3-difluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methanamine
SMILESCc1nc(CCc2ccc(CN)c(F)c2F)cs1
InChIInChI=1S/C13H14F2N2S/c1-8-17-11(7-18-8)5-4-9-2-3-10(6-16)13(15)12(9)14/h2-3,7H,4-6,16H2,1H3
InChIKeyCDCQSQLEASGSFN-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.97
Rot. Bonds4

About [2,3-difluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methanamine

[2,3-difluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methanamine (PubChem CID 58112143) has the molecular formula C13H14F2N2S and a molecular weight of 268.33 g/mol. Its IUPAC name is [2,3-difluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methanamine.

Molecular Properties

Compound Name[2,3-difluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methanamine
PubChem CID58112143
Molecular FormulaC13H14F2N2S
Molecular Weight268.33 g/mol
Exact Mass268.08
IUPAC Name[2,3-difluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methanamine
SMILESCc1nc(CCc2ccc(CN)c(F)c2F)cs1
InChIInChI=1S/C13H14F2N2S/c1-8-17-11(7-18-8)5-4-9-2-3-10(6-16)13(15)12(9)14/h2-3,7H,4-6,16H2,1H3
InChIKeyCDCQSQLEASGSFN-UHFFFAOYSA-N
XLogP2.97
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2,3-difluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methanamine?
The IUPAC name of [2,3-difluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methanamine (CID 58112143) is [2,3-difluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methanamine.
What is the SMILES notation for [2,3-difluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methanamine?
The canonical SMILES for [2,3-difluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methanamine is Cc1nc(CCc2ccc(CN)c(F)c2F)cs1.
What is the InChIKey of [2,3-difluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methanamine?
The InChIKey is CDCQSQLEASGSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2S/c1-8-17-11(7-18-8)5-4-9-2-3-10(6-16)13(15)12(9)14/h2-3,7H,4-6,16H2,1H3.
What are the key properties of [2,3-difluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methanamine?
[2,3-difluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methanamine has a molecular weight of 268.33 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-difluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methanamine is sourced from PubChem (CID 58112143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).