N-(3,5-difluorophenyl)-2-methyl-1,3-thiazol-5-amine

C10H8F2N2S — CID 142690227

IUPACN-(3,5-difluorophenyl)-2-methyl-1,3-thiazol-5-amine
SMILESCc1ncc(Nc2cc(F)cc(F)c2)s1
InChIInChI=1S/C10H8F2N2S/c1-6-13-5-10(15-6)14-9-3-7(11)2-8(12)4-9/h2-5,14H,1H3
InChIKeyWCICHXQTJQRSIT-UHFFFAOYSA-N
MW226.25 g/mol
LogP3.47
Rot. Bonds2

About N-(3,5-difluorophenyl)-2-methyl-1,3-thiazol-5-amine

N-(3,5-difluorophenyl)-2-methyl-1,3-thiazol-5-amine (PubChem CID 142690227) has the molecular formula C10H8F2N2S and a molecular weight of 226.25 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-2-methyl-1,3-thiazol-5-amine.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-2-methyl-1,3-thiazol-5-amine
PubChem CID142690227
Molecular FormulaC10H8F2N2S
Molecular Weight226.25 g/mol
Exact Mass226.04
IUPAC NameN-(3,5-difluorophenyl)-2-methyl-1,3-thiazol-5-amine
SMILESCc1ncc(Nc2cc(F)cc(F)c2)s1
InChIInChI=1S/C10H8F2N2S/c1-6-13-5-10(15-6)14-9-3-7(11)2-8(12)4-9/h2-5,14H,1H3
InChIKeyWCICHXQTJQRSIT-UHFFFAOYSA-N
XLogP3.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-2-methyl-1,3-thiazol-5-amine?
The IUPAC name of N-(3,5-difluorophenyl)-2-methyl-1,3-thiazol-5-amine (CID 142690227) is N-(3,5-difluorophenyl)-2-methyl-1,3-thiazol-5-amine.
What is the SMILES notation for N-(3,5-difluorophenyl)-2-methyl-1,3-thiazol-5-amine?
The canonical SMILES for N-(3,5-difluorophenyl)-2-methyl-1,3-thiazol-5-amine is Cc1ncc(Nc2cc(F)cc(F)c2)s1.
What is the InChIKey of N-(3,5-difluorophenyl)-2-methyl-1,3-thiazol-5-amine?
The InChIKey is WCICHXQTJQRSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2S/c1-6-13-5-10(15-6)14-9-3-7(11)2-8(12)4-9/h2-5,14H,1H3.
What are the key properties of N-(3,5-difluorophenyl)-2-methyl-1,3-thiazol-5-amine?
N-(3,5-difluorophenyl)-2-methyl-1,3-thiazol-5-amine has a molecular weight of 226.25 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-2-methyl-1,3-thiazol-5-amine is sourced from PubChem (CID 142690227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).