3-methyl-5-(1-thiophen-3-ylethylamino)-1,2-thiazole-4-carbonitrile

C11H11N3S2 — CID 79376328

IUPAC3-methyl-5-(1-thiophen-3-ylethylamino)-1,2-thiazole-4-carbonitrile
SMILESCc1nsc(NC(C)c2ccsc2)c1C#N
InChIInChI=1S/C11H11N3S2/c1-7(9-3-4-15-6-9)13-11-10(5-12)8(2)14-16-11/h3-4,6-7,13H,1-2H3
InChIKeyPQZPXWYDGCFTCX-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.56
Rot. Bonds3

About 3-methyl-5-(1-thiophen-3-ylethylamino)-1,2-thiazole-4-carbonitrile

3-methyl-5-(1-thiophen-3-ylethylamino)-1,2-thiazole-4-carbonitrile (PubChem CID 79376328) has the molecular formula C11H11N3S2 and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-methyl-5-(1-thiophen-3-ylethylamino)-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-methyl-5-(1-thiophen-3-ylethylamino)-1,2-thiazole-4-carbonitrile
PubChem CID79376328
Molecular FormulaC11H11N3S2
Molecular Weight249.36 g/mol
Exact Mass249.04
IUPAC Name3-methyl-5-(1-thiophen-3-ylethylamino)-1,2-thiazole-4-carbonitrile
SMILESCc1nsc(NC(C)c2ccsc2)c1C#N
InChIInChI=1S/C11H11N3S2/c1-7(9-3-4-15-6-9)13-11-10(5-12)8(2)14-16-11/h3-4,6-7,13H,1-2H3
InChIKeyPQZPXWYDGCFTCX-UHFFFAOYSA-N
XLogP3.56
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dimethyl-2-(1-thiophen-3-ylethylamino)pyridine-3-carbonitrile
CID 62840867
3-methyl-5-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-1,2-thiazole-4-carbonitrile
CID 79376415
3-methyl-5-(1-thiophen-2-ylpropan-2-ylamino)-1,2-thiazole-4-carbonitrile
CID 79375384
3-methyl-5-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-1,2-thiazole-4-carbonitrile
CID 79375802
2-fluoro-5-(1-thiophen-3-ylethylamino)benzonitrile
CID 55058157
(1S)-N-methyl-1-thiophen-3-ylethanamine
CID 92981912
2-chloro-6-(1-thiophen-3-ylethylamino)pyridine-4-carbonitrile
CID 83076667
4-iodo-2-methyl-N-(1-thiophen-3-ylethyl)aniline
CID 62091392
3-ethyl-N-(1-thiophen-3-ylethyl)-1,2,4-thiadiazol-5-amine
CID 65274547
4-methyl-6-propan-2-yl-N-(1-thiophen-3-ylethyl)pyrimidin-2-amine
CID 113491500
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
3-methyl-5-[1-(oxan-4-yl)ethylamino]-1,2-thiazole-4-carbonitrile
CID 114115350

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1-thiophen-3-ylethylamino)-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-methyl-5-(1-thiophen-3-ylethylamino)-1,2-thiazole-4-carbonitrile (CID 79376328) is 3-methyl-5-(1-thiophen-3-ylethylamino)-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-methyl-5-(1-thiophen-3-ylethylamino)-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-methyl-5-(1-thiophen-3-ylethylamino)-1,2-thiazole-4-carbonitrile is Cc1nsc(NC(C)c2ccsc2)c1C#N.
What is the InChIKey of 3-methyl-5-(1-thiophen-3-ylethylamino)-1,2-thiazole-4-carbonitrile?
The InChIKey is PQZPXWYDGCFTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3S2/c1-7(9-3-4-15-6-9)13-11-10(5-12)8(2)14-16-11/h3-4,6-7,13H,1-2H3.
What are the key properties of 3-methyl-5-(1-thiophen-3-ylethylamino)-1,2-thiazole-4-carbonitrile?
3-methyl-5-(1-thiophen-3-ylethylamino)-1,2-thiazole-4-carbonitrile has a molecular weight of 249.36 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1-thiophen-3-ylethylamino)-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 79376328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).