4-(4-chlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-amine

C12H11ClN2S — CID 2131650

IUPAC4-(4-chlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-amine
SMILESC=CCNc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C12H11ClN2S/c1-2-7-14-12-15-11(8-16-12)9-3-5-10(13)6-4-9/h2-6,8H,1,7H2,(H,14,15)
InChIKeyCFLBYLQUMHJCFH-UHFFFAOYSA-N
MW250.75 g/mol
LogP4.06
Rot. Bonds4

About 4-(4-chlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-amine

4-(4-chlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-amine (PubChem CID 2131650) has the molecular formula C12H11ClN2S and a molecular weight of 250.75 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-amine
PubChem CID2131650
Molecular FormulaC12H11ClN2S
Molecular Weight250.75 g/mol
Exact Mass250.03
IUPAC Name4-(4-chlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-amine
SMILESC=CCNc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C12H11ClN2S/c1-2-7-14-12-15-11(8-16-12)9-3-5-10(13)6-4-9/h2-6,8H,1,7H2,(H,14,15)
InChIKeyCFLBYLQUMHJCFH-UHFFFAOYSA-N
XLogP4.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.75
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-amine (CID 2131650) is 4-(4-chlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-amine is C=CCNc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 4-(4-chlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-amine?
The InChIKey is CFLBYLQUMHJCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2S/c1-2-7-14-12-15-11(8-16-12)9-3-5-10(13)6-4-9/h2-6,8H,1,7H2,(H,14,15).
What are the key properties of 4-(4-chlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-amine has a molecular weight of 250.75 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-amine is sourced from PubChem (CID 2131650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).