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

C11H11N3S2 — CID 79375455

IUPAC3-methyl-5-(2-thiophen-2-ylethylamino)-1,2-thiazole-4-carbonitrile
SMILESCc1nsc(NCCc2cccs2)c1C#N
InChIInChI=1S/C11H11N3S2/c1-8-10(7-12)11(16-14-8)13-5-4-9-3-2-6-15-9/h2-3,6,13H,4-5H2,1H3
InChIKeyCEELSDBAXSDHHF-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.04
Rot. Bonds4

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

3-methyl-5-(2-thiophen-2-ylethylamino)-1,2-thiazole-4-carbonitrile (PubChem CID 79375455) has the molecular formula C11H11N3S2 and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-methyl-5-(2-thiophen-2-ylethylamino)-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-methyl-5-(2-thiophen-2-ylethylamino)-1,2-thiazole-4-carbonitrile
PubChem CID79375455
Molecular FormulaC11H11N3S2
Molecular Weight249.36 g/mol
Exact Mass249.04
IUPAC Name3-methyl-5-(2-thiophen-2-ylethylamino)-1,2-thiazole-4-carbonitrile
SMILESCc1nsc(NCCc2cccs2)c1C#N
InChIInChI=1S/C11H11N3S2/c1-8-10(7-12)11(16-14-8)13-5-4-9-3-2-6-15-9/h2-3,6,13H,4-5H2,1H3
InChIKeyCEELSDBAXSDHHF-UHFFFAOYSA-N
XLogP3.04
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dimethyl-4-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile
CID 81042656
3-methyl-5-(1-thiophen-2-ylpropan-2-ylamino)-1,2-thiazole-4-carbonitrile
CID 79375384
3-methyl-5-(2-pyridin-2-ylethylamino)-1,2-thiazole-4-carbonitrile
CID 79376309
5-[2-(2,4-dichlorophenyl)ethylamino]-3-methyl-1,2-thiazole-4-carbonitrile
CID 79375694
6-methyl-2-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile
CID 55207434
4-methoxy-5-N-(2-thiophen-2-ylethyl)-1,2-thiazole-3,5-diamine
CID 103382595
3-methyl-5-(4,4,4-trifluorobutylamino)-1,2-thiazole-4-carbonitrile
CID 115522986
3-methyl-5-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethylamino]-1,2-thiazole-4-carbonitrile
CID 128564555
5-[(3-cyanophenyl)methylamino]-3-methyl-1,2-thiazole-4-carbonitrile
CID 79375380
3-methyl-5-(3-pyrrolidin-1-ylpropylamino)-1,2-thiazole-4-carbonitrile
CID 79375135
3,5-dimethyl-N-(2-thiophen-2-ylethyl)aniline
CID 63774162
3-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carbonitrile
CID 79375794

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-thiophen-2-ylethylamino)-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-methyl-5-(2-thiophen-2-ylethylamino)-1,2-thiazole-4-carbonitrile (CID 79375455) is 3-methyl-5-(2-thiophen-2-ylethylamino)-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-methyl-5-(2-thiophen-2-ylethylamino)-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-methyl-5-(2-thiophen-2-ylethylamino)-1,2-thiazole-4-carbonitrile is Cc1nsc(NCCc2cccs2)c1C#N.
What is the InChIKey of 3-methyl-5-(2-thiophen-2-ylethylamino)-1,2-thiazole-4-carbonitrile?
The InChIKey is CEELSDBAXSDHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3S2/c1-8-10(7-12)11(16-14-8)13-5-4-9-3-2-6-15-9/h2-3,6,13H,4-5H2,1H3.
What are the key properties of 3-methyl-5-(2-thiophen-2-ylethylamino)-1,2-thiazole-4-carbonitrile?
3-methyl-5-(2-thiophen-2-ylethylamino)-1,2-thiazole-4-carbonitrile has a molecular weight of 249.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-thiophen-2-ylethylamino)-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 79375455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).