N-(4,4-difluorocyclohexyl)-3-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrazin-2-amine

C15H18F2N4S — CID 139300510

IUPACN-(4,4-difluorocyclohexyl)-3-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrazin-2-amine
SMILESCc1csc(-c2cnc(NC3CCC(F)(F)CC3)c(C)n2)n1
InChIInChI=1S/C15H18F2N4S/c1-9-8-22-14(19-9)12-7-18-13(10(2)20-12)21-11-3-5-15(16,17)6-4-11/h7-8,11H,3-6H2,1-2H3,(H,18,21)
InChIKeyGNISQRGGMJVRCS-UHFFFAOYSA-N
MW324.40 g/mol
LogP4.21
Rot. Bonds3

About N-(4,4-difluorocyclohexyl)-3-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrazin-2-amine

N-(4,4-difluorocyclohexyl)-3-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrazin-2-amine (PubChem CID 139300510) has the molecular formula C15H18F2N4S and a molecular weight of 324.40 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-3-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrazin-2-amine.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-3-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrazin-2-amine
PubChem CID139300510
Molecular FormulaC15H18F2N4S
Molecular Weight324.40 g/mol
Exact Mass324.12
IUPAC NameN-(4,4-difluorocyclohexyl)-3-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrazin-2-amine
SMILESCc1csc(-c2cnc(NC3CCC(F)(F)CC3)c(C)n2)n1
InChIInChI=1S/C15H18F2N4S/c1-9-8-22-14(19-9)12-7-18-13(10(2)20-12)21-11-3-5-15(16,17)6-4-11/h7-8,11H,3-6H2,1-2H3,(H,18,21)
InChIKeyGNISQRGGMJVRCS-UHFFFAOYSA-N
XLogP4.21
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-3-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrazin-2-amine?
The IUPAC name of N-(4,4-difluorocyclohexyl)-3-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrazin-2-amine (CID 139300510) is N-(4,4-difluorocyclohexyl)-3-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrazin-2-amine.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-3-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrazin-2-amine?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-3-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrazin-2-amine is Cc1csc(-c2cnc(NC3CCC(F)(F)CC3)c(C)n2)n1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-3-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrazin-2-amine?
The InChIKey is GNISQRGGMJVRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4S/c1-9-8-22-14(19-9)12-7-18-13(10(2)20-12)21-11-3-5-15(16,17)6-4-11/h7-8,11H,3-6H2,1-2H3,(H,18,21).
What are the key properties of N-(4,4-difluorocyclohexyl)-3-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrazin-2-amine?
N-(4,4-difluorocyclohexyl)-3-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrazin-2-amine has a molecular weight of 324.40 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-3-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrazin-2-amine is sourced from PubChem (CID 139300510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).