2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]butan-2-amine

C13H15ClN2S — CID 61337270

IUPAC2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]butan-2-amine
SMILESCCC(C)(N)c1nc(-c2cccc(Cl)c2)cs1
InChIInChI=1S/C13H15ClN2S/c1-3-13(2,15)12-16-11(8-17-12)9-5-4-6-10(14)7-9/h4-8H,3,15H2,1-2H3
InChIKeyPSEZAPWDGDSVDY-UHFFFAOYSA-N
MW266.80 g/mol
LogP4.05
Rot. Bonds3

About 2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]butan-2-amine

2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]butan-2-amine (PubChem CID 61337270) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]butan-2-amine.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]butan-2-amine
PubChem CID61337270
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC Name2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]butan-2-amine
SMILESCCC(C)(N)c1nc(-c2cccc(Cl)c2)cs1
InChIInChI=1S/C13H15ClN2S/c1-3-13(2,15)12-16-11(8-17-12)9-5-4-6-10(14)7-9/h4-8H,3,15H2,1-2H3
InChIKeyPSEZAPWDGDSVDY-UHFFFAOYSA-N
XLogP4.05
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]butan-2-amine?
The IUPAC name of 2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]butan-2-amine (CID 61337270) is 2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]butan-2-amine.
What is the SMILES notation for 2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]butan-2-amine?
The canonical SMILES for 2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]butan-2-amine is CCC(C)(N)c1nc(-c2cccc(Cl)c2)cs1.
What is the InChIKey of 2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]butan-2-amine?
The InChIKey is PSEZAPWDGDSVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-3-13(2,15)12-16-11(8-17-12)9-5-4-6-10(14)7-9/h4-8H,3,15H2,1-2H3.
What are the key properties of 2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]butan-2-amine?
2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]butan-2-amine has a molecular weight of 266.80 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]butan-2-amine is sourced from PubChem (CID 61337270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).