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

C10H9N3S2 — CID 79375537

IUPAC3-methyl-5-(thiophen-2-ylmethylamino)-1,2-thiazole-4-carbonitrile
SMILESCc1nsc(NCc2cccs2)c1C#N
InChIInChI=1S/C10H9N3S2/c1-7-9(5-11)10(15-13-7)12-6-8-3-2-4-14-8/h2-4,12H,6H2,1H3
InChIKeyUYGGWCCPFKUZQB-UHFFFAOYSA-N
MW235.34 g/mol
LogP3.00
Rot. Bonds3

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

3-methyl-5-(thiophen-2-ylmethylamino)-1,2-thiazole-4-carbonitrile (PubChem CID 79375537) has the molecular formula C10H9N3S2 and a molecular weight of 235.34 g/mol. Its IUPAC name is 3-methyl-5-(thiophen-2-ylmethylamino)-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-methyl-5-(thiophen-2-ylmethylamino)-1,2-thiazole-4-carbonitrile
PubChem CID79375537
Molecular FormulaC10H9N3S2
Molecular Weight235.34 g/mol
Exact Mass235.02
IUPAC Name3-methyl-5-(thiophen-2-ylmethylamino)-1,2-thiazole-4-carbonitrile
SMILESCc1nsc(NCc2cccs2)c1C#N
InChIInChI=1S/C10H9N3S2/c1-7-9(5-11)10(15-13-7)12-6-8-3-2-4-14-8/h2-4,12H,6H2,1H3
InChIKeyUYGGWCCPFKUZQB-UHFFFAOYSA-N
XLogP3.00
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(thiophen-2-ylmethylamino)-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-methyl-5-(thiophen-2-ylmethylamino)-1,2-thiazole-4-carbonitrile (CID 79375537) is 3-methyl-5-(thiophen-2-ylmethylamino)-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-methyl-5-(thiophen-2-ylmethylamino)-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-methyl-5-(thiophen-2-ylmethylamino)-1,2-thiazole-4-carbonitrile is Cc1nsc(NCc2cccs2)c1C#N.
What is the InChIKey of 3-methyl-5-(thiophen-2-ylmethylamino)-1,2-thiazole-4-carbonitrile?
The InChIKey is UYGGWCCPFKUZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3S2/c1-7-9(5-11)10(15-13-7)12-6-8-3-2-4-14-8/h2-4,12H,6H2,1H3.
What are the key properties of 3-methyl-5-(thiophen-2-ylmethylamino)-1,2-thiazole-4-carbonitrile?
3-methyl-5-(thiophen-2-ylmethylamino)-1,2-thiazole-4-carbonitrile has a molecular weight of 235.34 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(thiophen-2-ylmethylamino)-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 79375537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).