5-[[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]diazenyl]-3-ethyl-1,2-thiazole-4-carbonitrile

C14H18N6S2 — CID 91411719

IUPAC5-[[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]diazenyl]-3-ethyl-1,2-thiazole-4-carbonitrile
SMILESCCc1nsc(N=Nc2sc(N(CC)CC)nc2C)c1C#N
InChIInChI=1S/C14H18N6S2/c1-5-11-10(8-15)13(22-19-11)18-17-12-9(4)16-14(21-12)20(6-2)7-3/h5-7H2,1-4H3
InChIKeyRTSQQHNIPDESLL-UHFFFAOYSA-N
MW334.47 g/mol
LogP4.60
Rot. Bonds6

About 5-[[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]diazenyl]-3-ethyl-1,2-thiazole-4-carbonitrile

5-[[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]diazenyl]-3-ethyl-1,2-thiazole-4-carbonitrile (PubChem CID 91411719) has the molecular formula C14H18N6S2 and a molecular weight of 334.47 g/mol. Its IUPAC name is 5-[[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]diazenyl]-3-ethyl-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name5-[[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]diazenyl]-3-ethyl-1,2-thiazole-4-carbonitrile
PubChem CID91411719
Molecular FormulaC14H18N6S2
Molecular Weight334.47 g/mol
Exact Mass334.10
IUPAC Name5-[[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]diazenyl]-3-ethyl-1,2-thiazole-4-carbonitrile
SMILESCCc1nsc(N=Nc2sc(N(CC)CC)nc2C)c1C#N
InChIInChI=1S/C14H18N6S2/c1-5-11-10(8-15)13(22-19-11)18-17-12-9(4)16-14(21-12)20(6-2)7-3/h5-7H2,1-4H3
InChIKeyRTSQQHNIPDESLL-UHFFFAOYSA-N
XLogP4.60
TPSA77.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]diazenyl]-3-ethyl-1,2-thiazole-4-carbonitrile?
The IUPAC name of 5-[[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]diazenyl]-3-ethyl-1,2-thiazole-4-carbonitrile (CID 91411719) is 5-[[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]diazenyl]-3-ethyl-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 5-[[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]diazenyl]-3-ethyl-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 5-[[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]diazenyl]-3-ethyl-1,2-thiazole-4-carbonitrile is CCc1nsc(N=Nc2sc(N(CC)CC)nc2C)c1C#N.
What is the InChIKey of 5-[[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]diazenyl]-3-ethyl-1,2-thiazole-4-carbonitrile?
The InChIKey is RTSQQHNIPDESLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6S2/c1-5-11-10(8-15)13(22-19-11)18-17-12-9(4)16-14(21-12)20(6-2)7-3/h5-7H2,1-4H3.
What are the key properties of 5-[[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]diazenyl]-3-ethyl-1,2-thiazole-4-carbonitrile?
5-[[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]diazenyl]-3-ethyl-1,2-thiazole-4-carbonitrile has a molecular weight of 334.47 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(diethylamino)-4-methyl-1,3-thiazol-5-yl]diazenyl]-3-ethyl-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 91411719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).