4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-5H-1,3-thiazol-2-imine

C12H12ClN3S — CID 2726362

IUPAC4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-5H-1,3-thiazol-2-imine
SMILESCC(C)=NN=C1N=C(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/h3-6H,7H2,1-2H3
InChIKeyKKKQPCWHLTWPFF-UHFFFAOYSA-N
MW265.77 g/mol
LogP3.63
Rot. Bonds2

About 4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-5H-1,3-thiazol-2-imine

4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-5H-1,3-thiazol-2-imine (PubChem CID 2726362) 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)-5H-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-5H-1,3-thiazol-2-imine
PubChem CID2726362
Molecular FormulaC12H12ClN3S
Molecular Weight265.77 g/mol
Exact Mass265.04
IUPAC Name4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-5H-1,3-thiazol-2-imine
SMILESCC(C)=NN=C1N=C(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/h3-6H,7H2,1-2H3
InChIKeyKKKQPCWHLTWPFF-UHFFFAOYSA-N
XLogP3.63
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.77
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-5H-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-5H-1,3-thiazol-2-imine (CID 2726362) is 4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-5H-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-5H-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-5H-1,3-thiazol-2-imine is CC(C)=NN=C1N=C(c2ccc(Cl)cc2)CS1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-5H-1,3-thiazol-2-imine?
The InChIKey is KKKQPCWHLTWPFF-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/h3-6H,7H2,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-5H-1,3-thiazol-2-imine?
4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-5H-1,3-thiazol-2-imine has a molecular weight of 265.77 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-5H-1,3-thiazol-2-imine is sourced from PubChem (CID 2726362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).