4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-1,3-thiazol-2-amine

C12H12ClN3S — CID 17163601

IUPAC4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-1,3-thiazol-2-amine
SMILESCC(C)=NNc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C12H12ClN3S/c1-8(2)15-16-12-14-11(7-17-12)9-3-5-10(13)6-4-9/h3-7H,1-2H3,(H,14,16)
InChIKeyWVNNKWMXNNPTIF-UHFFFAOYSA-N
MW265.77 g/mol
LogP4.27
Rot. Bonds3

About 4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-1,3-thiazol-2-amine

4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-1,3-thiazol-2-amine (PubChem CID 17163601) has the molecular formula C12H12ClN3S and a molecular weight of 265.77 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-1,3-thiazol-2-amine
PubChem CID17163601
Molecular FormulaC12H12ClN3S
Molecular Weight265.77 g/mol
Exact Mass265.04
IUPAC Name4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-1,3-thiazol-2-amine
SMILESCC(C)=NNc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C12H12ClN3S/c1-8(2)15-16-12-14-11(7-17-12)9-3-5-10(13)6-4-9/h3-7H,1-2H3,(H,14,16)
InChIKeyWVNNKWMXNNPTIF-UHFFFAOYSA-N
XLogP4.27
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.77
LogP ≤ 54.27
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-[2-(2-propan-2-ylidenehydrazinyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 4540074
N-[(E)-1-(4-tert-butylphenyl)ethylideneamino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 6161650
2-[(E)-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-C-methylcarbonimidoyl]benzene-1,3,5-triol
CID 136503698
N-[1-(4-chlorophenyl)ethylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine
CID 3136078
4-(4-chlorophenyl)-N-[(E)-1-naphthalen-1-ylethylideneamino]-1,3-thiazol-2-amine
CID 90486882
4-(4-chlorophenyl)-N-(1,3-diphenylpropan-2-ylideneamino)-1,3-thiazol-2-amine
CID 25014803
N-[(E)-1-(4-chlorophenyl)propylideneamino]-4-(4-iodophenyl)-1,3-thiazol-2-amine
CID 6371982
4-(4-chlorophenyl)-N-[1-(4-nitrophenyl)ethylideneamino]-1,3-thiazol-2-amine
CID 2845173
4-(4-chlorophenyl)-N-[(Z)-1-(4,5-dimethoxy-2-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine
CID 6114841
4-(4-bromophenyl)-N-[1-(4-chlorophenyl)propylideneamino]-1,3-thiazol-2-amine
CID 3499419
N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetohydrazide
CID 2315799
4-(4-methylphenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine
CID 5333462

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-1,3-thiazol-2-amine (CID 17163601) is 4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-1,3-thiazol-2-amine is CC(C)=NNc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-1,3-thiazol-2-amine?
The InChIKey is WVNNKWMXNNPTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3S/c1-8(2)15-16-12-14-11(7-17-12)9-3-5-10(13)6-4-9/h3-7H,1-2H3,(H,14,16).
What are the key properties of 4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-1,3-thiazol-2-amine has a molecular weight of 265.77 g/mol, XLogP of 4.27, 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-(propan-2-ylideneamino)-1,3-thiazol-2-amine is sourced from PubChem (CID 17163601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).