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

C10H11ClN2S2 — CID 116868195

IUPAC1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(-c2ccc(Cl)s2)nc1C
InChIInChI=1S/C10H11ClN2S2/c1-6-8(5-12-2)15-10(13-6)7-3-4-9(11)14-7/h3-4,12H,5H2,1-2H3
InChIKeyJHIUIQPVNOGCHA-UHFFFAOYSA-N
MW258.80 g/mol
LogP3.55
Rot. Bonds3

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

1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 116868195) has the molecular formula C10H11ClN2S2 and a molecular weight of 258.80 g/mol. Its IUPAC name is 1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID116868195
Molecular FormulaC10H11ClN2S2
Molecular Weight258.80 g/mol
Exact Mass258.01
IUPAC Name1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(-c2ccc(Cl)s2)nc1C
InChIInChI=1S/C10H11ClN2S2/c1-6-8(5-12-2)15-10(13-6)7-3-4-9(11)14-7/h3-4,12H,5H2,1-2H3
InChIKeyJHIUIQPVNOGCHA-UHFFFAOYSA-N
XLogP3.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.80
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 82085986
1-[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82193731
1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 61281842
1-[2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82193718
1-[2-(3-bromo-4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 115568387
N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanamine
CID 116868204
1-[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62699846
(2R)-3-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-2-cyano-N-methyl-3-oxopropanamide
CID 98465541
2-(5-chlorothiophen-2-yl)-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 86848562
1-[2-(6-methoxypyridazin-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 103375095
1-(2-isoquinolin-1-yl-4-methyl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 63949685
2-[4-(5-chlorothiophen-2-yl)-6-methylpyrimidin-2-yl]-N-methylethanamine
CID 116892646

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine (CID 116868195) is 1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(-c2ccc(Cl)s2)nc1C.
What is the InChIKey of 1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is JHIUIQPVNOGCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2S2/c1-6-8(5-12-2)15-10(13-6)7-3-4-9(11)14-7/h3-4,12H,5H2,1-2H3.
What are the key properties of 1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 258.80 g/mol, XLogP of 3.55, 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)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 116868195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).