5-amino-3-ethylsulfanyl-1,2-thiazole-4-carbonitrile

C6H7N3S2 — CID 21399270

IUPAC5-amino-3-ethylsulfanyl-1,2-thiazole-4-carbonitrile
SMILESCCSc1nsc(N)c1C#N
InChIInChI=1S/C6H7N3S2/c1-2-10-6-4(3-7)5(8)11-9-6/h2,8H2,1H3
InChIKeyCOJXZUZMJHWGAO-UHFFFAOYSA-N
MW185.28 g/mol
LogP1.71
Rot. Bonds2

About 5-amino-3-ethylsulfanyl-1,2-thiazole-4-carbonitrile

5-amino-3-ethylsulfanyl-1,2-thiazole-4-carbonitrile (PubChem CID 21399270) has the molecular formula C6H7N3S2 and a molecular weight of 185.28 g/mol. Its IUPAC name is 5-amino-3-ethylsulfanyl-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-ethylsulfanyl-1,2-thiazole-4-carbonitrile
PubChem CID21399270
Molecular FormulaC6H7N3S2
Molecular Weight185.28 g/mol
Exact Mass185.01
IUPAC Name5-amino-3-ethylsulfanyl-1,2-thiazole-4-carbonitrile
SMILESCCSc1nsc(N)c1C#N
InChIInChI=1S/C6H7N3S2/c1-2-10-6-4(3-7)5(8)11-9-6/h2,8H2,1H3
InChIKeyCOJXZUZMJHWGAO-UHFFFAOYSA-N
XLogP1.71
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-ethylsulfanyl-1,2-thiazole-4-carbonitrile?
The IUPAC name of 5-amino-3-ethylsulfanyl-1,2-thiazole-4-carbonitrile (CID 21399270) is 5-amino-3-ethylsulfanyl-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-ethylsulfanyl-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-ethylsulfanyl-1,2-thiazole-4-carbonitrile is CCSc1nsc(N)c1C#N.
What is the InChIKey of 5-amino-3-ethylsulfanyl-1,2-thiazole-4-carbonitrile?
The InChIKey is COJXZUZMJHWGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3S2/c1-2-10-6-4(3-7)5(8)11-9-6/h2,8H2,1H3.
What are the key properties of 5-amino-3-ethylsulfanyl-1,2-thiazole-4-carbonitrile?
5-amino-3-ethylsulfanyl-1,2-thiazole-4-carbonitrile has a molecular weight of 185.28 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-ethylsulfanyl-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 21399270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).