4-(4-chlorophenyl)-5-propyl-1,3-thiazol-2-amine

C12H13ClN2S — CID 882319

IUPAC4-(4-chlorophenyl)-5-propyl-1,3-thiazol-2-amine
SMILESCCCc1sc(N)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2S/c1-2-3-10-11(15-12(14)16-10)8-4-6-9(13)7-5-8/h4-7H,2-3H2,1H3,(H2,14,15)
InChIKeyBAHBNWYVXHGRNB-UHFFFAOYSA-N
MW252.77 g/mol
LogP4.00
Rot. Bonds3

About 4-(4-chlorophenyl)-5-propyl-1,3-thiazol-2-amine

4-(4-chlorophenyl)-5-propyl-1,3-thiazol-2-amine (PubChem CID 882319) has the molecular formula C12H13ClN2S and a molecular weight of 252.77 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-propyl-1,3-thiazol-2-amine
PubChem CID882319
Molecular FormulaC12H13ClN2S
Molecular Weight252.77 g/mol
Exact Mass252.05
IUPAC Name4-(4-chlorophenyl)-5-propyl-1,3-thiazol-2-amine
SMILESCCCc1sc(N)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2S/c1-2-3-10-11(15-12(14)16-10)8-4-6-9(13)7-5-8/h4-7H,2-3H2,1H3,(H2,14,15)
InChIKeyBAHBNWYVXHGRNB-UHFFFAOYSA-N
XLogP4.00
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.77
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-propyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-5-propyl-1,3-thiazol-2-amine (CID 882319) is 4-(4-chlorophenyl)-5-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-5-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-5-propyl-1,3-thiazol-2-amine is CCCc1sc(N)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5-propyl-1,3-thiazol-2-amine?
The InChIKey is BAHBNWYVXHGRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2S/c1-2-3-10-11(15-12(14)16-10)8-4-6-9(13)7-5-8/h4-7H,2-3H2,1H3,(H2,14,15).
What are the key properties of 4-(4-chlorophenyl)-5-propyl-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-5-propyl-1,3-thiazol-2-amine has a molecular weight of 252.77 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 882319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).