4-(4-chlorophenyl)-N-[(Z)-[(1S,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]-1,3-thiazol-2-amine

C19H22ClN3S — CID 23376404

IUPAC4-(4-chlorophenyl)-N-[(Z)-[(1S,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]-1,3-thiazol-2-amine
SMILESCC1(C)[C@@H]2CC[C@]1(C)C/C2=N/Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C19H22ClN3S/c1-18(2)14-8-9-19(18,3)10-15(14)22-23-17-21-16(11-24-17)12-4-6-13(20)7-5-12/h4-7,11,14H,8-10H2,1-3H3,(H,21,23)/b22-15-/t14-,19-/m1/s1
InChIKeyAMIFBGRDFUWRFX-LIXXRMFJSA-N
MW359.93 g/mol
LogP6.08
Rot. Bonds3

About 4-(4-chlorophenyl)-N-[(Z)-[(1S,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]-1,3-thiazol-2-amine

4-(4-chlorophenyl)-N-[(Z)-[(1S,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]-1,3-thiazol-2-amine (PubChem CID 23376404) has the molecular formula C19H22ClN3S and a molecular weight of 359.93 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[(Z)-[(1S,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[(Z)-[(1S,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]-1,3-thiazol-2-amine
PubChem CID23376404
Molecular FormulaC19H22ClN3S
Molecular Weight359.93 g/mol
Exact Mass359.12
IUPAC Name4-(4-chlorophenyl)-N-[(Z)-[(1S,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]-1,3-thiazol-2-amine
SMILESCC1(C)[C@@H]2CC[C@]1(C)C/C2=N/Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C19H22ClN3S/c1-18(2)14-8-9-19(18,3)10-15(14)22-23-17-21-16(11-24-17)12-4-6-13(20)7-5-12/h4-7,11,14H,8-10H2,1-3H3,(H,21,23)/b22-15-/t14-,19-/m1/s1
InChIKeyAMIFBGRDFUWRFX-LIXXRMFJSA-N
XLogP6.08
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.93
LogP ≤ 56.08
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

4-(4-chlorophenyl)-N-[(Z)-[(1R,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]-1,3-thiazol-2-amine
CID 7344988
4-(4-chlorophenyl)-N-[(E)-(2-methylcyclohexylidene)amino]-1,3-thiazol-2-amine
CID 52949315
4-(4-chlorophenyl)-N-[(E)-[(1R,4R,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]-1,3-thiazol-2-amine
CID 7431086
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-(4-chlorophenyl)-N-[(Z)-(3-methylcyclohexylidene)amino]-1,3-thiazol-2-amine
CID 25193525
4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-1,3-thiazol-2-amine
CID 17163601
4-(4-iodophenyl)-N-[(Z)-(2-methylcyclopentylidene)amino]-1,3-thiazol-2-amine
CID 71472465
N-[(E)-1-(4-tert-butylphenyl)ethylideneamino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 6161650
N-[(4-methylcyclohexylidene)amino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 19133250
4-(4-chlorophenyl)-N-[1-(4-nitrophenyl)ethylideneamino]-1,3-thiazol-2-amine
CID 2845173
N-[1-(4-chlorophenyl)ethylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine
CID 3136078
4-[2-[2-[3-[(4-chlorophenyl)methylidene]-6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol
CID 141489832

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[(Z)-[(1S,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-[(Z)-[(1S,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]-1,3-thiazol-2-amine (CID 23376404) is 4-(4-chlorophenyl)-N-[(Z)-[(1S,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[(Z)-[(1S,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-[(Z)-[(1S,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]-1,3-thiazol-2-amine is CC1(C)[C@@H]2CC[C@]1(C)C/C2=N/Nc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[(Z)-[(1S,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]-1,3-thiazol-2-amine?
The InChIKey is AMIFBGRDFUWRFX-LIXXRMFJSA-N. The full InChI is InChI=1S/C19H22ClN3S/c1-18(2)14-8-9-19(18,3)10-15(14)22-23-17-21-16(11-24-17)12-4-6-13(20)7-5-12/h4-7,11,14H,8-10H2,1-3H3,(H,21,23)/b22-15-/t14-,19-/m1/s1.
What are the key properties of 4-(4-chlorophenyl)-N-[(Z)-[(1S,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-N-[(Z)-[(1S,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]-1,3-thiazol-2-amine has a molecular weight of 359.93 g/mol, XLogP of 6.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[(Z)-[(1S,4R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]-1,3-thiazol-2-amine is sourced from PubChem (CID 23376404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).