N-(cycloheptylideneamino)-4-phenyl-1,3-thiazol-2-amine

C16H19N3S — CID 5273551

IUPACN-(cycloheptylideneamino)-4-phenyl-1,3-thiazol-2-amine
SMILESc1ccc(-c2csc(NN=C3CCCCCC3)n2)cc1
InChIInChI=1S/C16H19N3S/c1-2-7-11-14(10-6-1)18-19-16-17-15(12-20-16)13-8-4-3-5-9-13/h3-5,8-9,12H,1-2,6-7,10-11H2,(H,17,19)
InChIKeyHFWROKPXAPGNOY-UHFFFAOYSA-N
MW285.42 g/mol
LogP4.93
Rot. Bonds3

About N-(cycloheptylideneamino)-4-phenyl-1,3-thiazol-2-amine

N-(cycloheptylideneamino)-4-phenyl-1,3-thiazol-2-amine (PubChem CID 5273551) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is N-(cycloheptylideneamino)-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(cycloheptylideneamino)-4-phenyl-1,3-thiazol-2-amine
PubChem CID5273551
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC NameN-(cycloheptylideneamino)-4-phenyl-1,3-thiazol-2-amine
SMILESc1ccc(-c2csc(NN=C3CCCCCC3)n2)cc1
InChIInChI=1S/C16H19N3S/c1-2-7-11-14(10-6-1)18-19-16-17-15(12-20-16)13-8-4-3-5-9-13/h3-5,8-9,12H,1-2,6-7,10-11H2,(H,17,19)
InChIKeyHFWROKPXAPGNOY-UHFFFAOYSA-N
XLogP4.93
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

2-Amino-4-phenylthiazole
CID 40302
2-Amino-4-phenyl-5-methylthiazole
CID 96129
4-Phenyl-N-(2-phenylethyl)-2-thiazolamine
CID 54339
4-(4-Cyanophenyl)-2-(2-cyclopentylidenehydrazinyl)thiazole
CID 44442376
2-Amino-4-(4-biphenylyl)thiazole
CID 76075
2-Amino-4-phenylthiazole hydrobromide monohydrate
CID 40301
4-(2-Methylphenyl)-1,3-thiazol-2-amine
CID 220174
4-(4-Methylphenyl)-1,3-thiazol-2(3H)-imine
CID 244066
N-cyclohexyl-4-phenyl-1,3-thiazol-2-amine
CID 2447522
2-Hydrazinyl-4-phenylthiazole
CID 98613
2-Thiazolamine, 5-ethyl-4-phenyl-
CID 147560
4-(4-Fluorophenyl)-1,3-thiazol-2-amine
CID 722371

Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylideneamino)-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-(cycloheptylideneamino)-4-phenyl-1,3-thiazol-2-amine (CID 5273551) is N-(cycloheptylideneamino)-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(cycloheptylideneamino)-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(cycloheptylideneamino)-4-phenyl-1,3-thiazol-2-amine is c1ccc(-c2csc(NN=C3CCCCCC3)n2)cc1.
What is the InChIKey of N-(cycloheptylideneamino)-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is HFWROKPXAPGNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-2-7-11-14(10-6-1)18-19-16-17-15(12-20-16)13-8-4-3-5-9-13/h3-5,8-9,12H,1-2,6-7,10-11H2,(H,17,19).
What are the key properties of N-(cycloheptylideneamino)-4-phenyl-1,3-thiazol-2-amine?
N-(cycloheptylideneamino)-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 285.42 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylideneamino)-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 5273551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).