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

C9H12N4S2 — CID 105171790

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanamine
SMILESCc1nc(CC(N)c2cnns2)sc1C
InChIInChI=1S/C9H12N4S2/c1-5-6(2)14-9(12-5)3-7(10)8-4-11-13-15-8/h4,7H,3,10H2,1-2H3
InChIKeyPIGLAVDUSQTMSU-UHFFFAOYSA-N
MW240.36 g/mol
LogP1.85
Rot. Bonds3

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

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanamine (PubChem CID 105171790) has the molecular formula C9H12N4S2 and a molecular weight of 240.36 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanamine
PubChem CID105171790
Molecular FormulaC9H12N4S2
Molecular Weight240.36 g/mol
Exact Mass240.05
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanamine
SMILESCc1nc(CC(N)c2cnns2)sc1C
InChIInChI=1S/C9H12N4S2/c1-5-6(2)14-9(12-5)3-7(10)8-4-11-13-15-8/h4,7H,3,10H2,1-2H3
InChIKeyPIGLAVDUSQTMSU-UHFFFAOYSA-N
XLogP1.85
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(thiadiazol-4-yl)ethanamine
CID 105171681
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 105019776
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(thiadiazol-5-yl)ethanamine
CID 105160984
2-(3-methylphenyl)-1-(thiadiazol-5-yl)ethanamine
CID 105091271
2-(2,5-dimethylphenyl)-1-(thiadiazol-5-yl)ethanamine
CID 105101119
1-(2,6-dichlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 105019614
2-(4-fluorophenyl)-1-(thiadiazol-5-yl)ethanamine
CID 105087109
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanamine
CID 105162414
1-(3-bromo-2-fluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 107953462
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 105019639
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethoxyphenyl)ethanamine
CID 82066800
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 82066802

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanamine (CID 105171790) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanamine is Cc1nc(CC(N)c2cnns2)sc1C.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanamine?
The InChIKey is PIGLAVDUSQTMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S2/c1-5-6(2)14-9(12-5)3-7(10)8-4-11-13-15-8/h4,7H,3,10H2,1-2H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanamine?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanamine has a molecular weight of 240.36 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105171790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).