5-chloro-N-cyclohexyl-4-[2-(oxan-4-ylmethylsulfanyl)-1,3-thiazol-4-yl]pyridin-2-amine

C20H26ClN3OS2 — CID 146409044

IUPAC5-chloro-N-cyclohexyl-4-[2-(oxan-4-ylmethylsulfanyl)-1,3-thiazol-4-yl]pyridin-2-amine
SMILESClc1cnc(NC2CCCCC2)cc1-c1csc(SCC2CCOCC2)n1
InChIInChI=1S/C20H26ClN3OS2/c21-17-11-22-19(23-15-4-2-1-3-5-15)10-16(17)18-13-27-20(24-18)26-12-14-6-8-25-9-7-14/h10-11,13-15H,1-9,12H2,(H,22,23)
InChIKeyHICZAHRWGIANFU-UHFFFAOYSA-N
MW424.04 g/mol
LogP6.12
Rot. Bonds6

About 5-chloro-N-cyclohexyl-4-[2-(oxan-4-ylmethylsulfanyl)-1,3-thiazol-4-yl]pyridin-2-amine

5-chloro-N-cyclohexyl-4-[2-(oxan-4-ylmethylsulfanyl)-1,3-thiazol-4-yl]pyridin-2-amine (PubChem CID 146409044) has the molecular formula C20H26ClN3OS2 and a molecular weight of 424.04 g/mol. Its IUPAC name is 5-chloro-N-cyclohexyl-4-[2-(oxan-4-ylmethylsulfanyl)-1,3-thiazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-cyclohexyl-4-[2-(oxan-4-ylmethylsulfanyl)-1,3-thiazol-4-yl]pyridin-2-amine
PubChem CID146409044
Molecular FormulaC20H26ClN3OS2
Molecular Weight424.04 g/mol
Exact Mass423.12
IUPAC Name5-chloro-N-cyclohexyl-4-[2-(oxan-4-ylmethylsulfanyl)-1,3-thiazol-4-yl]pyridin-2-amine
SMILESClc1cnc(NC2CCCCC2)cc1-c1csc(SCC2CCOCC2)n1
InChIInChI=1S/C20H26ClN3OS2/c21-17-11-22-19(23-15-4-2-1-3-5-15)10-16(17)18-13-27-20(24-18)26-12-14-6-8-25-9-7-14/h10-11,13-15H,1-9,12H2,(H,22,23)
InChIKeyHICZAHRWGIANFU-UHFFFAOYSA-N
XLogP6.12
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.04
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclohexyl-4-[2-(oxan-4-ylmethylsulfanyl)-1,3-thiazol-4-yl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-cyclohexyl-4-[2-(oxan-4-ylmethylsulfanyl)-1,3-thiazol-4-yl]pyridin-2-amine (CID 146409044) is 5-chloro-N-cyclohexyl-4-[2-(oxan-4-ylmethylsulfanyl)-1,3-thiazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-cyclohexyl-4-[2-(oxan-4-ylmethylsulfanyl)-1,3-thiazol-4-yl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-cyclohexyl-4-[2-(oxan-4-ylmethylsulfanyl)-1,3-thiazol-4-yl]pyridin-2-amine is Clc1cnc(NC2CCCCC2)cc1-c1csc(SCC2CCOCC2)n1.
What is the InChIKey of 5-chloro-N-cyclohexyl-4-[2-(oxan-4-ylmethylsulfanyl)-1,3-thiazol-4-yl]pyridin-2-amine?
The InChIKey is HICZAHRWGIANFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3OS2/c21-17-11-22-19(23-15-4-2-1-3-5-15)10-16(17)18-13-27-20(24-18)26-12-14-6-8-25-9-7-14/h10-11,13-15H,1-9,12H2,(H,22,23).
What are the key properties of 5-chloro-N-cyclohexyl-4-[2-(oxan-4-ylmethylsulfanyl)-1,3-thiazol-4-yl]pyridin-2-amine?
5-chloro-N-cyclohexyl-4-[2-(oxan-4-ylmethylsulfanyl)-1,3-thiazol-4-yl]pyridin-2-amine has a molecular weight of 424.04 g/mol, XLogP of 6.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclohexyl-4-[2-(oxan-4-ylmethylsulfanyl)-1,3-thiazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 146409044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).