2-[2-(4-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-methyl-1-phenylethanamine

C16H15ClN2S2 — CID 79422016

IUPAC2-[2-(4-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-methyl-1-phenylethanamine
SMILESCNC(Cc1csc(-c2cc(Cl)cs2)n1)c1ccccc1
InChIInChI=1S/C16H15ClN2S2/c1-18-14(11-5-3-2-4-6-11)8-13-10-21-16(19-13)15-7-12(17)9-20-15/h2-7,9-10,14,18H,8H2,1H3
InChIKeySDRCECWHOKYCLA-UHFFFAOYSA-N
MW334.90 g/mol
LogP5.03
Rot. Bonds5

About 2-[2-(4-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-methyl-1-phenylethanamine

2-[2-(4-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-methyl-1-phenylethanamine (PubChem CID 79422016) has the molecular formula C16H15ClN2S2 and a molecular weight of 334.90 g/mol. Its IUPAC name is 2-[2-(4-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-methyl-1-phenylethanamine.

Molecular Properties

Compound Name2-[2-(4-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-methyl-1-phenylethanamine
PubChem CID79422016
Molecular FormulaC16H15ClN2S2
Molecular Weight334.90 g/mol
Exact Mass334.04
IUPAC Name2-[2-(4-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-methyl-1-phenylethanamine
SMILESCNC(Cc1csc(-c2cc(Cl)cs2)n1)c1ccccc1
InChIInChI=1S/C16H15ClN2S2/c1-18-14(11-5-3-2-4-6-11)8-13-10-21-16(19-13)15-7-12(17)9-20-15/h2-7,9-10,14,18H,8H2,1H3
InChIKeySDRCECWHOKYCLA-UHFFFAOYSA-N
XLogP5.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.90
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-methyl-1-phenylethanamine?
The IUPAC name of 2-[2-(4-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-methyl-1-phenylethanamine (CID 79422016) is 2-[2-(4-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-methyl-1-phenylethanamine.
What is the SMILES notation for 2-[2-(4-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-methyl-1-phenylethanamine?
The canonical SMILES for 2-[2-(4-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-methyl-1-phenylethanamine is CNC(Cc1csc(-c2cc(Cl)cs2)n1)c1ccccc1.
What is the InChIKey of 2-[2-(4-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-methyl-1-phenylethanamine?
The InChIKey is SDRCECWHOKYCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2S2/c1-18-14(11-5-3-2-4-6-11)8-13-10-21-16(19-13)15-7-12(17)9-20-15/h2-7,9-10,14,18H,8H2,1H3.
What are the key properties of 2-[2-(4-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-methyl-1-phenylethanamine?
2-[2-(4-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-methyl-1-phenylethanamine has a molecular weight of 334.90 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-methyl-1-phenylethanamine is sourced from PubChem (CID 79422016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).