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

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

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Related Compounds

Tambiciclib
CID 141725841
4-(((4-(5-Chloro-2-((trans-4-((2-methoxyethyl)amino)cyclohexyl)amino)pyridin-4-yl)thiazol-2-yl)amino)methyl)tetrahydro-2H-pyran-4-carbonitrile
CID 134814484
4-(((4-(5-Chloro-2-(((1S,4r)-4-(((S)-1-methoxypropan-2-yl)amino)cyclohexyl)amino)pyridin-4-yl)thiazol-2-yl)amino)methyl)tetrahydro-2H-pyran-4-carbonitrile
CID 138958566
N-[4-[[5-chloro-4-[2-(oxan-4-ylmethylamino)-1,3-thiazol-4-yl]-2-pyridinyl]amino]cyclohexyl]acetamide
CID 141725854
4-N-[5-chloro-4-[2-(oxan-4-ylmethylamino)-1,3-thiazol-4-yl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 145979539
4-N-[5-chloro-4-[2-(oxan-4-ylmethylsulfanyl)-1,3-thiazol-4-yl]-2-pyridinyl]-1-N-(2-methoxyethyl)cyclohexane-1,4-diamine
CID 145979634
1-N-(2-methoxyethyl)-4-N-[4-[2-(oxan-4-ylmethylamino)-1,3-thiazol-4-yl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 145980534
4-N-[4-[2-(benzylamino)-1,3-thiazol-4-yl]-5-chloro-2-pyridinyl]-1-N-(2-methoxyethyl)cyclohexane-1,4-diamine
CID 145982067
4-N-[5-chloro-4-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]-2-pyridinyl]-1-N-(2-methoxyethyl)cyclohexane-1,4-diamine
CID 145983699
4-N-[5-chloro-4-[2-(cyclohexylmethylamino)-1,3-thiazol-4-yl]-2-pyridinyl]-1-N-(2-methoxyethyl)cyclohexane-1,4-diamine
CID 145986529
4-[2-[(4-aminocyclohexyl)methylamino]-5-chloro-4-pyridinyl]-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine
CID 145987115
4-N-[5-chloro-4-[2-(methylamino)-1,3-thiazol-4-yl]-2-pyridinyl]-1-N-(2-methoxyethyl)cyclohexane-1,4-diamine
CID 145988534

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).