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

C8H8ClN3S2 — CID 107125243

IUPAC1-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
SMILESCNCc1csc(-c2ncc(Cl)s2)n1
InChIInChI=1S/C8H8ClN3S2/c1-10-2-5-4-13-8(12-5)7-11-3-6(9)14-7/h3-4,10H,2H2,1H3
InChIKeyHNYYGWOIBXZCOF-UHFFFAOYSA-N
MW245.76 g/mol
LogP2.64
Rot. Bonds3

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

1-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine (PubChem CID 107125243) has the molecular formula C8H8ClN3S2 and a molecular weight of 245.76 g/mol. Its IUPAC name is 1-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
PubChem CID107125243
Molecular FormulaC8H8ClN3S2
Molecular Weight245.76 g/mol
Exact Mass244.98
IUPAC Name1-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
SMILESCNCc1csc(-c2ncc(Cl)s2)n1
InChIInChI=1S/C8H8ClN3S2/c1-10-2-5-4-13-8(12-5)7-11-3-6(9)14-7/h3-4,10H,2H2,1H3
InChIKeyHNYYGWOIBXZCOF-UHFFFAOYSA-N
XLogP2.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.76
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine (CID 107125243) is 1-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine is CNCc1csc(-c2ncc(Cl)s2)n1.
What is the InChIKey of 1-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine?
The InChIKey is HNYYGWOIBXZCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3S2/c1-10-2-5-4-13-8(12-5)7-11-3-6(9)14-7/h3-4,10H,2H2,1H3.
What are the key properties of 1-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine?
1-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine has a molecular weight of 245.76 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 107125243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).