1-(3-chloro-4-methylthiophen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine

C13H17ClN2S2 — CID 103406934

IUPAC1-(3-chloro-4-methylthiophen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
SMILESCNC(Cc1nc(C)c(C)s1)c1scc(C)c1Cl
InChIInChI=1S/C13H17ClN2S2/c1-7-6-17-13(12(7)14)10(15-4)5-11-16-8(2)9(3)18-11/h6,10,15H,5H2,1-4H3
InChIKeyHIXMAIVTIWQBGK-UHFFFAOYSA-N
MW300.88 g/mol
LogP4.29
Rot. Bonds4

About 1-(3-chloro-4-methylthiophen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine

1-(3-chloro-4-methylthiophen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine (PubChem CID 103406934) has the molecular formula C13H17ClN2S2 and a molecular weight of 300.88 g/mol. Its IUPAC name is 1-(3-chloro-4-methylthiophen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methylthiophen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
PubChem CID103406934
Molecular FormulaC13H17ClN2S2
Molecular Weight300.88 g/mol
Exact Mass300.05
IUPAC Name1-(3-chloro-4-methylthiophen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
SMILESCNC(Cc1nc(C)c(C)s1)c1scc(C)c1Cl
InChIInChI=1S/C13H17ClN2S2/c1-7-6-17-13(12(7)14)10(15-4)5-11-16-8(2)9(3)18-11/h6,10,15H,5H2,1-4H3
InChIKeyHIXMAIVTIWQBGK-UHFFFAOYSA-N
XLogP4.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.88
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 103407151
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-phenylethanamine
CID 65168981
1-(2,3-dichlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 105019795
2-(1,3-benzothiazol-2-yl)-1-(3-chloro-4-methylthiophen-2-yl)-N-ethylethanamine
CID 103402602
1-(3-chloro-4-methylthiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine
CID 103406541
1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-difluorophenyl)-N-methylethanamine
CID 103402443
1-(5-bromo-2-chlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 105019983
1-(3-chloro-4-iodophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 103215960
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-ethoxyphenyl)-N-methylethanamine
CID 115533845
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine
CID 64989566
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-chloro-4-methylthiophen-2-yl)-N-methylethanamine
CID 103406533
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 103405485

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine?
The IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine (CID 103406934) is 1-(3-chloro-4-methylthiophen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(3-chloro-4-methylthiophen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(3-chloro-4-methylthiophen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine is CNC(Cc1nc(C)c(C)s1)c1scc(C)c1Cl.
What is the InChIKey of 1-(3-chloro-4-methylthiophen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine?
The InChIKey is HIXMAIVTIWQBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2S2/c1-7-6-17-13(12(7)14)10(15-4)5-11-16-8(2)9(3)18-11/h6,10,15H,5H2,1-4H3.
What are the key properties of 1-(3-chloro-4-methylthiophen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine?
1-(3-chloro-4-methylthiophen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine has a molecular weight of 300.88 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylthiophen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine is sourced from PubChem (CID 103406934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).