5-chloro-N-[(4-methylthiophen-3-yl)methyl]-1,3-thiazol-2-amine

C9H9ClN2S2 — CID 130670323

IUPAC5-chloro-N-[(4-methylthiophen-3-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1cscc1CNc1ncc(Cl)s1
InChIInChI=1S/C9H9ClN2S2/c1-6-4-13-5-7(6)2-11-9-12-3-8(10)14-9/h3-5H,2H2,1H3,(H,11,12)
InChIKeyYIIFUAQLCBQDSD-UHFFFAOYSA-N
MW244.77 g/mol
LogP3.78
Rot. Bonds3

About 5-chloro-N-[(4-methylthiophen-3-yl)methyl]-1,3-thiazol-2-amine

5-chloro-N-[(4-methylthiophen-3-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 130670323) has the molecular formula C9H9ClN2S2 and a molecular weight of 244.77 g/mol. Its IUPAC name is 5-chloro-N-[(4-methylthiophen-3-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(4-methylthiophen-3-yl)methyl]-1,3-thiazol-2-amine
PubChem CID130670323
Molecular FormulaC9H9ClN2S2
Molecular Weight244.77 g/mol
Exact Mass243.99
IUPAC Name5-chloro-N-[(4-methylthiophen-3-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1cscc1CNc1ncc(Cl)s1
InChIInChI=1S/C9H9ClN2S2/c1-6-4-13-5-7(6)2-11-9-12-3-8(10)14-9/h3-5H,2H2,1H3,(H,11,12)
InChIKeyYIIFUAQLCBQDSD-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-methylthiophen-3-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-chloro-N-[(4-methylthiophen-3-yl)methyl]-1,3-thiazol-2-amine (CID 130670323) is 5-chloro-N-[(4-methylthiophen-3-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-chloro-N-[(4-methylthiophen-3-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-chloro-N-[(4-methylthiophen-3-yl)methyl]-1,3-thiazol-2-amine is Cc1cscc1CNc1ncc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(4-methylthiophen-3-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is YIIFUAQLCBQDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2S2/c1-6-4-13-5-7(6)2-11-9-12-3-8(10)14-9/h3-5H,2H2,1H3,(H,11,12).
What are the key properties of 5-chloro-N-[(4-methylthiophen-3-yl)methyl]-1,3-thiazol-2-amine?
5-chloro-N-[(4-methylthiophen-3-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 244.77 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-methylthiophen-3-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 130670323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).