1-(4-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine

C10H12N2S2 — CID 131042710

IUPAC1-(4-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine
SMILESCc1csc(C(N)Cc2cncs2)c1
InChIInChI=1S/C10H12N2S2/c1-7-2-10(13-5-7)9(11)3-8-4-12-6-14-8/h2,4-6,9H,3,11H2,1H3
InChIKeyKLBITOSYFUJHEH-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.76
Rot. Bonds3

About 1-(4-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine

1-(4-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine (PubChem CID 131042710) has the molecular formula C10H12N2S2 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(4-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(4-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine
PubChem CID131042710
Molecular FormulaC10H12N2S2
Molecular Weight224.35 g/mol
Exact Mass224.04
IUPAC Name1-(4-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine
SMILESCc1csc(C(N)Cc2cncs2)c1
InChIInChI=1S/C10H12N2S2/c1-7-2-10(13-5-7)9(11)3-8-4-12-6-14-8/h2,4-6,9H,3,11H2,1H3
InChIKeyKLBITOSYFUJHEH-UHFFFAOYSA-N
XLogP2.76
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-iodothiophen-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105030806
1-(1,3-thiazol-5-yl)propan-2-amine
CID 60748054
1-(4-methyl-1,3-thiazol-5-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105177899
1-(1-benzothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105030509
1-(3,5-dimethoxyphenyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105030712
1-pyridin-4-yl-2-(1,3-thiazol-5-yl)ethanamine
CID 112642722
1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105030337
ethane;3-methyl-1-(4-methylthiophen-2-yl)butan-1-amine
CID 156724928
1-(3-methyl-2-pyridinyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 112642901
1-(3-methylphenyl)-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642897
1-(5-bromofuran-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 131031441
2-(1,3-thiazol-5-yl)-1-(2H-triazol-4-yl)ethanamine
CID 112643460

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 1-(4-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine (CID 131042710) is 1-(4-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 1-(4-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 1-(4-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine is Cc1csc(C(N)Cc2cncs2)c1.
What is the InChIKey of 1-(4-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is KLBITOSYFUJHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S2/c1-7-2-10(13-5-7)9(11)3-8-4-12-6-14-8/h2,4-6,9H,3,11H2,1H3.
What are the key properties of 1-(4-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine?
1-(4-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 224.35 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 131042710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).