5-N-(cyclohexylmethyl)-4-phenyl-1,2-thiazole-3,5-diamine

C16H21N3S — CID 103382843

IUPAC5-N-(cyclohexylmethyl)-4-phenyl-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCC2CCCCC2)c1-c1ccccc1
InChIInChI=1S/C16H21N3S/c17-15-14(13-9-5-2-6-10-13)16(20-19-15)18-11-12-7-3-1-4-8-12/h2,5-6,9-10,12,18H,1,3-4,7-8,11H2,(H2,17,19)
InChIKeyJXAPBJPASVSSDX-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.38
Rot. Bonds4

About 5-N-(cyclohexylmethyl)-4-phenyl-1,2-thiazole-3,5-diamine

5-N-(cyclohexylmethyl)-4-phenyl-1,2-thiazole-3,5-diamine (PubChem CID 103382843) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 5-N-(cyclohexylmethyl)-4-phenyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(cyclohexylmethyl)-4-phenyl-1,2-thiazole-3,5-diamine
PubChem CID103382843
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name5-N-(cyclohexylmethyl)-4-phenyl-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCC2CCCCC2)c1-c1ccccc1
InChIInChI=1S/C16H21N3S/c17-15-14(13-9-5-2-6-10-13)16(20-19-15)18-11-12-7-3-1-4-8-12/h2,5-6,9-10,12,18H,1,3-4,7-8,11H2,(H2,17,19)
InChIKeyJXAPBJPASVSSDX-UHFFFAOYSA-N
XLogP4.38
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-(cyclohexylmethyl)-4-phenyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(cyclohexylmethyl)-4-phenyl-1,2-thiazole-3,5-diamine (CID 103382843) is 5-N-(cyclohexylmethyl)-4-phenyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(cyclohexylmethyl)-4-phenyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(cyclohexylmethyl)-4-phenyl-1,2-thiazole-3,5-diamine is Nc1nsc(NCC2CCCCC2)c1-c1ccccc1.
What is the InChIKey of 5-N-(cyclohexylmethyl)-4-phenyl-1,2-thiazole-3,5-diamine?
The InChIKey is JXAPBJPASVSSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c17-15-14(13-9-5-2-6-10-13)16(20-19-15)18-11-12-7-3-1-4-8-12/h2,5-6,9-10,12,18H,1,3-4,7-8,11H2,(H2,17,19).
What are the key properties of 5-N-(cyclohexylmethyl)-4-phenyl-1,2-thiazole-3,5-diamine?
5-N-(cyclohexylmethyl)-4-phenyl-1,2-thiazole-3,5-diamine has a molecular weight of 287.43 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(cyclohexylmethyl)-4-phenyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103382843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).