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

C9H10ClN3S2 — CID 107125231

IUPAC1-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1cnc(-c2ncc(Cl)s2)s1
InChIInChI=1S/C9H10ClN3S2/c1-5(11-2)6-3-12-8(14-6)9-13-4-7(10)15-9/h3-5,11H,1-2H3
InChIKeySFHJGPJOFWNTFZ-UHFFFAOYSA-N
MW259.79 g/mol
LogP3.20
Rot. Bonds3

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

1-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine (PubChem CID 107125231) has the molecular formula C9H10ClN3S2 and a molecular weight of 259.79 g/mol. Its IUPAC name is 1-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine
PubChem CID107125231
Molecular FormulaC9H10ClN3S2
Molecular Weight259.79 g/mol
Exact Mass259.00
IUPAC Name1-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1cnc(-c2ncc(Cl)s2)s1
InChIInChI=1S/C9H10ClN3S2/c1-5(11-2)6-3-12-8(14-6)9-13-4-7(10)15-9/h3-5,11H,1-2H3
InChIKeySFHJGPJOFWNTFZ-UHFFFAOYSA-N
XLogP3.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.79
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-bromo-5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 102843629
1-[2-(2-chloro-6-fluorophenyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 62651174
N-methyl-1-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]ethanamine
CID 104823163
N-methyl-1-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]ethanamine
CID 62653566
N-methyl-1-[2-(3-propan-2-ylimidazol-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 66130511
1-[2-(2,3-dimethylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 62653754
1-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 81277555
1-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 84766702
1-[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 82741103
1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 55108350
N-[(4-chlorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 62755005
1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-N-ethylethanamine
CID 62652298

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine (CID 107125231) is 1-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine is CNC(C)c1cnc(-c2ncc(Cl)s2)s1.
What is the InChIKey of 1-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine?
The InChIKey is SFHJGPJOFWNTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3S2/c1-5(11-2)6-3-12-8(14-6)9-13-4-7(10)15-9/h3-5,11H,1-2H3.
What are the key properties of 1-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine?
1-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine has a molecular weight of 259.79 g/mol, XLogP of 3.20, 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-5-yl]-N-methylethanamine is sourced from PubChem (CID 107125231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).