1-(5-chlorothiophen-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine

C11H13ClN2S2 — CID 61043721

IUPAC1-(5-chlorothiophen-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCc1csc(CNC(C)c2ccc(Cl)s2)n1
InChIInChI=1S/C11H13ClN2S2/c1-7-6-15-11(14-7)5-13-8(2)9-3-4-10(12)16-9/h3-4,6,8,13H,5H2,1-2H3
InChIKeyBVYNEVSEWPORSA-UHFFFAOYSA-N
MW272.83 g/mol
LogP4.02
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine

1-(5-chlorothiophen-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 61043721) has the molecular formula C11H13ClN2S2 and a molecular weight of 272.83 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID61043721
Molecular FormulaC11H13ClN2S2
Molecular Weight272.83 g/mol
Exact Mass272.02
IUPAC Name1-(5-chlorothiophen-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCc1csc(CNC(C)c2ccc(Cl)s2)n1
InChIInChI=1S/C11H13ClN2S2/c1-7-6-15-11(14-7)5-13-8(2)9-3-4-10(12)16-9/h3-4,6,8,13H,5H2,1-2H3
InChIKeyBVYNEVSEWPORSA-UHFFFAOYSA-N
XLogP4.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.83
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine (CID 61043721) is 1-(5-chlorothiophen-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine is Cc1csc(CNC(C)c2ccc(Cl)s2)n1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is BVYNEVSEWPORSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2S2/c1-7-6-15-11(14-7)5-13-8(2)9-3-4-10(12)16-9/h3-4,6,8,13H,5H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
1-(5-chlorothiophen-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 272.83 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 61043721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).