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

C9H9ClN2S2 — CID 61281842

IUPAC1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
SMILESCNCc1csc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C9H9ClN2S2/c1-11-4-6-5-13-9(12-6)7-2-3-8(10)14-7/h2-3,5,11H,4H2,1H3
InChIKeySSVNKWRQYFTSFU-UHFFFAOYSA-N
MW244.77 g/mol
LogP3.24
Rot. Bonds3

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

1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine (PubChem CID 61281842) has the molecular formula C9H9ClN2S2 and a molecular weight of 244.77 g/mol. Its IUPAC name is 1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
PubChem CID61281842
Molecular FormulaC9H9ClN2S2
Molecular Weight244.77 g/mol
Exact Mass243.99
IUPAC Name1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
SMILESCNCc1csc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C9H9ClN2S2/c1-11-4-6-5-13-9(12-6)7-2-3-8(10)14-7/h2-3,5,11H,4H2,1H3
InChIKeySSVNKWRQYFTSFU-UHFFFAOYSA-N
XLogP3.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.77
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine (CID 61281842) is 1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine is CNCc1csc(-c2ccc(Cl)s2)n1.
What is the InChIKey of 1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine?
The InChIKey is SSVNKWRQYFTSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2S2/c1-11-4-6-5-13-9(12-6)7-2-3-8(10)14-7/h2-3,5,11H,4H2,1H3.
What are the key properties of 1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine?
1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine has a molecular weight of 244.77 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 61281842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).