N-[(E)-(4-methylcycloheptylidene)amino]-4-phenyl-1,3-thiazol-2-amine

C17H21N3S — CID 11820967

IUPACN-[(E)-(4-methylcycloheptylidene)amino]-4-phenyl-1,3-thiazol-2-amine
SMILESCC1CCC/C(=N\Nc2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C17H21N3S/c1-13-6-5-9-15(11-10-13)19-20-17-18-16(12-21-17)14-7-3-2-4-8-14/h2-4,7-8,12-13H,5-6,9-11H2,1H3,(H,18,20)/b19-15+
InChIKeyLJMOEKYQRMJXSZ-XDJHFCHBSA-N
MW299.44 g/mol
LogP5.18
Rot. Bonds3

About N-[(E)-(4-methylcycloheptylidene)amino]-4-phenyl-1,3-thiazol-2-amine

N-[(E)-(4-methylcycloheptylidene)amino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 11820967) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[(E)-(4-methylcycloheptylidene)amino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-(4-methylcycloheptylidene)amino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID11820967
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC NameN-[(E)-(4-methylcycloheptylidene)amino]-4-phenyl-1,3-thiazol-2-amine
SMILESCC1CCC/C(=N\Nc2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C17H21N3S/c1-13-6-5-9-15(11-10-13)19-20-17-18-16(12-21-17)14-7-3-2-4-8-14/h2-4,7-8,12-13H,5-6,9-11H2,1H3,(H,18,20)/b19-15+
InChIKeyLJMOEKYQRMJXSZ-XDJHFCHBSA-N
XLogP5.18
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.44
LogP ≤ 55.18
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

N-[(4-methylcyclohexylidene)amino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 19133250
4-(4-chlorophenyl)-N-[(Z)-(3-methylcyclohexylidene)amino]-1,3-thiazol-2-amine
CID 25193525
4-[2-[(2Z)-2-(3-methylcyclopentylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
CID 90676871
N-[[(7aR)-4-methyl-1,2,3,6,7,7a-hexahydroinden-5-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine
CID 6923298
4-(4-iodophenyl)-N-[(Z)-(2-methylcyclopentylidene)amino]-1,3-thiazol-2-amine
CID 71472465
4-(4-chlorophenyl)-N-[(E)-(2-methylcyclohexylidene)amino]-1,3-thiazol-2-amine
CID 52949315
N-(cyclopentylideneamino)-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine
CID 11404462
4-(4-chlorophenyl)-N-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]amino]-1,3-thiazol-2-amine
CID 155524455
4-(2,4-difluorophenyl)-N-[(E)-[(3R)-3-methylcyclopentylidene]amino]-1,3-thiazol-2-amine
CID 90656446
5-methyl-N-[(Z)-(3-methylcyclopentylidene)amino]-4-phenyl-1,3-thiazol-2-amine
CID 90676875
N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2163654
3-[2-(2-cyclohexylidenehydrazinyl)-1,3-thiazol-4-yl]chromen-2-one
CID 2851169

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methylcycloheptylidene)amino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(E)-(4-methylcycloheptylidene)amino]-4-phenyl-1,3-thiazol-2-amine (CID 11820967) is N-[(E)-(4-methylcycloheptylidene)amino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(E)-(4-methylcycloheptylidene)amino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(E)-(4-methylcycloheptylidene)amino]-4-phenyl-1,3-thiazol-2-amine is CC1CCC/C(=N\Nc2nc(-c3ccccc3)cs2)CC1.
What is the InChIKey of N-[(E)-(4-methylcycloheptylidene)amino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is LJMOEKYQRMJXSZ-XDJHFCHBSA-N. The full InChI is InChI=1S/C17H21N3S/c1-13-6-5-9-15(11-10-13)19-20-17-18-16(12-21-17)14-7-3-2-4-8-14/h2-4,7-8,12-13H,5-6,9-11H2,1H3,(H,18,20)/b19-15+.
What are the key properties of N-[(E)-(4-methylcycloheptylidene)amino]-4-phenyl-1,3-thiazol-2-amine?
N-[(E)-(4-methylcycloheptylidene)amino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 299.44 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methylcycloheptylidene)amino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 11820967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).