N-(cyclohexylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine

C16H19N3OS — CID 25193635

IUPACN-(cyclohexylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(NN=C3CCCCC3)n2)cc1
InChIInChI=1S/C16H19N3OS/c1-20-14-9-7-12(8-10-14)15-11-21-16(17-15)19-18-13-5-3-2-4-6-13/h7-11H,2-6H2,1H3,(H,17,19)
InChIKeyKZWBOZADOZKUCX-UHFFFAOYSA-N
MW301.42 g/mol
LogP4.55
Rot. Bonds4

About N-(cyclohexylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine

N-(cyclohexylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 25193635) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is N-(cyclohexylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(cyclohexylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
PubChem CID25193635
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC NameN-(cyclohexylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(NN=C3CCCCC3)n2)cc1
InChIInChI=1S/C16H19N3OS/c1-20-14-9-7-12(8-10-14)15-11-21-16(17-15)19-18-13-5-3-2-4-6-13/h7-11H,2-6H2,1H3,(H,17,19)
InChIKeyKZWBOZADOZKUCX-UHFFFAOYSA-N
XLogP4.55
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(cyclohexylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine (CID 25193635) is N-(cyclohexylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(cyclohexylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(cyclohexylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine is COc1ccc(-c2csc(NN=C3CCCCC3)n2)cc1.
What is the InChIKey of N-(cyclohexylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is KZWBOZADOZKUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-20-14-9-7-12(8-10-14)15-11-21-16(17-15)19-18-13-5-3-2-4-6-13/h7-11H,2-6H2,1H3,(H,17,19).
What are the key properties of N-(cyclohexylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine?
N-(cyclohexylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 301.42 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 25193635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).