N-cyclohexyl-4-phenyl-1,3-thiazol-2-amine

C15H18N2S — CID 2447522

IUPACN-cyclohexyl-4-phenyl-1,3-thiazol-2-amine
SMILESc1ccc(-c2csc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C15H18N2S/c1-3-7-12(8-4-1)14-11-18-15(17-14)16-13-9-5-2-6-10-13/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H,16,17)
InChIKeyOEGKRBXSCXXCAH-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.55
Rot. Bonds3

About N-cyclohexyl-4-phenyl-1,3-thiazol-2-amine

N-cyclohexyl-4-phenyl-1,3-thiazol-2-amine (PubChem CID 2447522) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-cyclohexyl-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-phenyl-1,3-thiazol-2-amine
PubChem CID2447522
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC NameN-cyclohexyl-4-phenyl-1,3-thiazol-2-amine
SMILESc1ccc(-c2csc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C15H18N2S/c1-3-7-12(8-4-1)14-11-18-15(17-14)16-13-9-5-2-6-10-13/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H,16,17)
InChIKeyOEGKRBXSCXXCAH-UHFFFAOYSA-N
XLogP4.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-cyclohexyl-4-phenyl-1,3-thiazol-2-amine (CID 2447522) is N-cyclohexyl-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclohexyl-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclohexyl-4-phenyl-1,3-thiazol-2-amine is c1ccc(-c2csc(NC3CCCCC3)n2)cc1.
What is the InChIKey of N-cyclohexyl-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is OEGKRBXSCXXCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-3-7-12(8-4-1)14-11-18-15(17-14)16-13-9-5-2-6-10-13/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H,16,17).
What are the key properties of N-cyclohexyl-4-phenyl-1,3-thiazol-2-amine?
N-cyclohexyl-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 258.39 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 2447522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).