N-[[(7aR)-4-methyl-1,2,3,6,7,7a-hexahydroinden-5-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine

C19H21N3S — CID 6923298

IUPACN-[[(7aR)-4-methyl-1,2,3,6,7,7a-hexahydroinden-5-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine
SMILESCC1=C2CCC[C@@H]2CCC1=NNc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H21N3S/c1-13-16-9-5-8-14(16)10-11-17(13)21-22-19-20-18(12-23-19)15-6-3-2-4-7-15/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,20,22)/t14-/m1/s1
InChIKeyLNHZDARYSGKXNW-CQSZACIVSA-N
MW323.46 g/mol
LogP5.49
Rot. Bonds3

About N-[[(7aR)-4-methyl-1,2,3,6,7,7a-hexahydroinden-5-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine

N-[[(7aR)-4-methyl-1,2,3,6,7,7a-hexahydroinden-5-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 6923298) has the molecular formula C19H21N3S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-[[(7aR)-4-methyl-1,2,3,6,7,7a-hexahydroinden-5-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[(7aR)-4-methyl-1,2,3,6,7,7a-hexahydroinden-5-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID6923298
Molecular FormulaC19H21N3S
Molecular Weight323.46 g/mol
Exact Mass323.15
IUPAC NameN-[[(7aR)-4-methyl-1,2,3,6,7,7a-hexahydroinden-5-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine
SMILESCC1=C2CCC[C@@H]2CCC1=NNc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H21N3S/c1-13-16-9-5-8-14(16)10-11-17(13)21-22-19-20-18(12-23-19)15-6-3-2-4-7-15/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,20,22)/t14-/m1/s1
InChIKeyLNHZDARYSGKXNW-CQSZACIVSA-N
XLogP5.49
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.46
LogP ≤ 55.49
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-[(E)-(4-methylcycloheptylidene)amino]-4-phenyl-1,3-thiazol-2-amine
CID 11820967
4-(4-iodophenyl)-N-[(Z)-(2-methylcyclopentylidene)amino]-1,3-thiazol-2-amine
CID 71472465
N-[(4-methylcyclohexylidene)amino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 19133250
4-(4-chlorophenyl)-N-[(E)-(2-methylcyclohexylidene)amino]-1,3-thiazol-2-amine
CID 52949315
4-(4-chlorophenyl)-N-[(Z)-(3-methylcyclohexylidene)amino]-1,3-thiazol-2-amine
CID 25193525
N-(cyclopentylideneamino)-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine
CID 11404462
N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2163654
2-[[(4-phenyl-1,3-thiazol-2-yl)amino]methylidene]cyclohexan-1-one
CID 5080547
2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol
CID 15573942
2-methyl-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 137099417
2-(cyclohexylamino)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 856357
N-[(E)-[4-[(E)-4-[2,6-dimethyl-4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]but-2-enoxy]-3,5-dimethylphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 139235135

Frequently Asked Questions

What is the IUPAC name of N-[[(7aR)-4-methyl-1,2,3,6,7,7a-hexahydroinden-5-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[[(7aR)-4-methyl-1,2,3,6,7,7a-hexahydroinden-5-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine (CID 6923298) is N-[[(7aR)-4-methyl-1,2,3,6,7,7a-hexahydroinden-5-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[(7aR)-4-methyl-1,2,3,6,7,7a-hexahydroinden-5-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[[(7aR)-4-methyl-1,2,3,6,7,7a-hexahydroinden-5-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine is CC1=C2CCC[C@@H]2CCC1=NNc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-[[(7aR)-4-methyl-1,2,3,6,7,7a-hexahydroinden-5-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is LNHZDARYSGKXNW-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21N3S/c1-13-16-9-5-8-14(16)10-11-17(13)21-22-19-20-18(12-23-19)15-6-3-2-4-7-15/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,20,22)/t14-/m1/s1.
What are the key properties of N-[[(7aR)-4-methyl-1,2,3,6,7,7a-hexahydroinden-5-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine?
N-[[(7aR)-4-methyl-1,2,3,6,7,7a-hexahydroinden-5-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 323.46 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(7aR)-4-methyl-1,2,3,6,7,7a-hexahydroinden-5-ylidene]amino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 6923298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).