N-cyclohexyl-4-(1,3-thiazol-2-yl)aniline

C15H18N2S — CID 54861949

IUPACN-cyclohexyl-4-(1,3-thiazol-2-yl)aniline
SMILESc1csc(-c2ccc(NC3CCCCC3)cc2)n1
InChIInChI=1S/C15H18N2S/c1-2-4-13(5-3-1)17-14-8-6-12(7-9-14)15-16-10-11-18-15/h6-11,13,17H,1-5H2
InChIKeyAPCQQKBGAQDISW-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.55
Rot. Bonds3

About N-cyclohexyl-4-(1,3-thiazol-2-yl)aniline

N-cyclohexyl-4-(1,3-thiazol-2-yl)aniline (PubChem CID 54861949) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-cyclohexyl-4-(1,3-thiazol-2-yl)aniline.

Molecular Properties

Compound NameN-cyclohexyl-4-(1,3-thiazol-2-yl)aniline
PubChem CID54861949
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC NameN-cyclohexyl-4-(1,3-thiazol-2-yl)aniline
SMILESc1csc(-c2ccc(NC3CCCCC3)cc2)n1
InChIInChI=1S/C15H18N2S/c1-2-4-13(5-3-1)17-14-8-6-12(7-9-14)15-16-10-11-18-15/h6-11,13,17H,1-5H2
InChIKeyAPCQQKBGAQDISW-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-(1,3-thiazol-2-yl)aniline?
The IUPAC name of N-cyclohexyl-4-(1,3-thiazol-2-yl)aniline (CID 54861949) is N-cyclohexyl-4-(1,3-thiazol-2-yl)aniline.
What is the SMILES notation for N-cyclohexyl-4-(1,3-thiazol-2-yl)aniline?
The canonical SMILES for N-cyclohexyl-4-(1,3-thiazol-2-yl)aniline is c1csc(-c2ccc(NC3CCCCC3)cc2)n1.
What is the InChIKey of N-cyclohexyl-4-(1,3-thiazol-2-yl)aniline?
The InChIKey is APCQQKBGAQDISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-2-4-13(5-3-1)17-14-8-6-12(7-9-14)15-16-10-11-18-15/h6-11,13,17H,1-5H2.
What are the key properties of N-cyclohexyl-4-(1,3-thiazol-2-yl)aniline?
N-cyclohexyl-4-(1,3-thiazol-2-yl)aniline 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-(1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 54861949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).