N-(cyclohepten-1-yl)-2-cyclohexylimino-4-(4-methoxyphenyl)-1,3-thiazol-3-amine

C23H31N3OS — CID 2388262

IUPACN-(cyclohepten-1-yl)-2-cyclohexylimino-4-(4-methoxyphenyl)-1,3-thiazol-3-amine
SMILESCOc1ccc(-c2cs/c(=N\C3CCCCC3)n2NC2=CCCCCC2)cc1
InChIInChI=1S/C23H31N3OS/c1-27-21-15-13-18(14-16-21)22-17-28-23(24-19-9-7-4-8-10-19)26(22)25-20-11-5-2-3-6-12-20/h11,13-17,19,25H,2-10,12H2,1H3/b24-23-
InChIKeyAYIQMKHGROBFRK-VHXPQNKSSA-N
MW397.59 g/mol
LogP5.85
Rot. Bonds5

About N-(cyclohepten-1-yl)-2-cyclohexylimino-4-(4-methoxyphenyl)-1,3-thiazol-3-amine

N-(cyclohepten-1-yl)-2-cyclohexylimino-4-(4-methoxyphenyl)-1,3-thiazol-3-amine (PubChem CID 2388262) has the molecular formula C23H31N3OS and a molecular weight of 397.59 g/mol. Its IUPAC name is N-(cyclohepten-1-yl)-2-cyclohexylimino-4-(4-methoxyphenyl)-1,3-thiazol-3-amine.

Molecular Properties

Compound NameN-(cyclohepten-1-yl)-2-cyclohexylimino-4-(4-methoxyphenyl)-1,3-thiazol-3-amine
PubChem CID2388262
Molecular FormulaC23H31N3OS
Molecular Weight397.59 g/mol
Exact Mass397.22
IUPAC NameN-(cyclohepten-1-yl)-2-cyclohexylimino-4-(4-methoxyphenyl)-1,3-thiazol-3-amine
SMILESCOc1ccc(-c2cs/c(=N\C3CCCCC3)n2NC2=CCCCCC2)cc1
InChIInChI=1S/C23H31N3OS/c1-27-21-15-13-18(14-16-21)22-17-28-23(24-19-9-7-4-8-10-19)26(22)25-20-11-5-2-3-6-12-20/h11,13-17,19,25H,2-10,12H2,1H3/b24-23-
InChIKeyAYIQMKHGROBFRK-VHXPQNKSSA-N
XLogP5.85
TPSA38.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.59
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohepten-1-yl)-2-cyclohexylimino-4-(4-methoxyphenyl)-1,3-thiazol-3-amine?
The IUPAC name of N-(cyclohepten-1-yl)-2-cyclohexylimino-4-(4-methoxyphenyl)-1,3-thiazol-3-amine (CID 2388262) is N-(cyclohepten-1-yl)-2-cyclohexylimino-4-(4-methoxyphenyl)-1,3-thiazol-3-amine.
What is the SMILES notation for N-(cyclohepten-1-yl)-2-cyclohexylimino-4-(4-methoxyphenyl)-1,3-thiazol-3-amine?
The canonical SMILES for N-(cyclohepten-1-yl)-2-cyclohexylimino-4-(4-methoxyphenyl)-1,3-thiazol-3-amine is COc1ccc(-c2cs/c(=N\C3CCCCC3)n2NC2=CCCCCC2)cc1.
What is the InChIKey of N-(cyclohepten-1-yl)-2-cyclohexylimino-4-(4-methoxyphenyl)-1,3-thiazol-3-amine?
The InChIKey is AYIQMKHGROBFRK-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H31N3OS/c1-27-21-15-13-18(14-16-21)22-17-28-23(24-19-9-7-4-8-10-19)26(22)25-20-11-5-2-3-6-12-20/h11,13-17,19,25H,2-10,12H2,1H3/b24-23-.
What are the key properties of N-(cyclohepten-1-yl)-2-cyclohexylimino-4-(4-methoxyphenyl)-1,3-thiazol-3-amine?
N-(cyclohepten-1-yl)-2-cyclohexylimino-4-(4-methoxyphenyl)-1,3-thiazol-3-amine has a molecular weight of 397.59 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohepten-1-yl)-2-cyclohexylimino-4-(4-methoxyphenyl)-1,3-thiazol-3-amine is sourced from PubChem (CID 2388262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).