1-(3-chlorophenyl)-3-(1,3-thiazol-2-yl)propan-2-amine

C12H13ClN2S — CID 79824023

IUPAC1-(3-chlorophenyl)-3-(1,3-thiazol-2-yl)propan-2-amine
SMILESNC(Cc1cccc(Cl)c1)Cc1nccs1
InChIInChI=1S/C12H13ClN2S/c13-10-3-1-2-9(6-10)7-11(14)8-12-15-4-5-16-12/h1-6,11H,7-8,14H2
InChIKeySVQCNUNXUAFZOU-UHFFFAOYSA-N
MW252.77 g/mol
LogP2.91
Rot. Bonds4

About 1-(3-chlorophenyl)-3-(1,3-thiazol-2-yl)propan-2-amine

1-(3-chlorophenyl)-3-(1,3-thiazol-2-yl)propan-2-amine (PubChem CID 79824023) has the molecular formula C12H13ClN2S and a molecular weight of 252.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(1,3-thiazol-2-yl)propan-2-amine
PubChem CID79824023
Molecular FormulaC12H13ClN2S
Molecular Weight252.77 g/mol
Exact Mass252.05
IUPAC Name1-(3-chlorophenyl)-3-(1,3-thiazol-2-yl)propan-2-amine
SMILESNC(Cc1cccc(Cl)c1)Cc1nccs1
InChIInChI=1S/C12H13ClN2S/c13-10-3-1-2-9(6-10)7-11(14)8-12-15-4-5-16-12/h1-6,11H,7-8,14H2
InChIKeySVQCNUNXUAFZOU-UHFFFAOYSA-N
XLogP2.91
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.77
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-3-(1,3-thiazol-2-yl)propan-2-amine (CID 79824023) is 1-(3-chlorophenyl)-3-(1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-3-(1,3-thiazol-2-yl)propan-2-amine is NC(Cc1cccc(Cl)c1)Cc1nccs1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is SVQCNUNXUAFZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2S/c13-10-3-1-2-9(6-10)7-11(14)8-12-15-4-5-16-12/h1-6,11H,7-8,14H2.
What are the key properties of 1-(3-chlorophenyl)-3-(1,3-thiazol-2-yl)propan-2-amine?
1-(3-chlorophenyl)-3-(1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 252.77 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 79824023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).