1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]imidazole-2-carbonitrile

C9H10N6S — CID 80607838

IUPAC1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]imidazole-2-carbonitrile
SMILESCCNc1nnc(Cn2ccnc2C#N)s1
InChIInChI=1S/C9H10N6S/c1-2-11-9-14-13-8(16-9)6-15-4-3-12-7(15)5-10/h3-4H,2,6H2,1H3,(H,11,14)
InChIKeyQIAZQSJRUUSVAQ-UHFFFAOYSA-N
MW234.29 g/mol
LogP1.09
Rot. Bonds4

About 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]imidazole-2-carbonitrile

1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]imidazole-2-carbonitrile (PubChem CID 80607838) has the molecular formula C9H10N6S and a molecular weight of 234.29 g/mol. Its IUPAC name is 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]imidazole-2-carbonitrile.

Molecular Properties

Compound Name1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]imidazole-2-carbonitrile
PubChem CID80607838
Molecular FormulaC9H10N6S
Molecular Weight234.29 g/mol
Exact Mass234.07
IUPAC Name1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]imidazole-2-carbonitrile
SMILESCCNc1nnc(Cn2ccnc2C#N)s1
InChIInChI=1S/C9H10N6S/c1-2-11-9-14-13-8(16-9)6-15-4-3-12-7(15)5-10/h3-4H,2,6H2,1H3,(H,11,14)
InChIKeyQIAZQSJRUUSVAQ-UHFFFAOYSA-N
XLogP1.09
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-4-methylpyridin-2-one
CID 80608105
5-bromo-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-6-methylpyrimidin-4-one
CID 80608742
N-ethyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607364
1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]-1,2,4-triazole-3-carbonitrile
CID 80607914
3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685480
8-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80607971
2-chloro-5-[(2-methylimidazol-1-yl)methyl]-1,3,4-thiadiazole
CID 80611046
6-methyl-3-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one
CID 80608637
N-ethyl-5-[2-[2-(methylamino)-1,3-thiazol-5-yl]ethyl]-1,3,4-thiadiazol-2-amine
CID 80609142
1-(3-methylbutyl)imidazole-2-carbonitrile
CID 79002203
5-(3-azaspiro[5.5]undecan-3-ylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80606120
[1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]piperidin-4-yl]methanol
CID 80606257

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]imidazole-2-carbonitrile?
The IUPAC name of 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]imidazole-2-carbonitrile (CID 80607838) is 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]imidazole-2-carbonitrile.
What is the SMILES notation for 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]imidazole-2-carbonitrile?
The canonical SMILES for 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]imidazole-2-carbonitrile is CCNc1nnc(Cn2ccnc2C#N)s1.
What is the InChIKey of 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]imidazole-2-carbonitrile?
The InChIKey is QIAZQSJRUUSVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6S/c1-2-11-9-14-13-8(16-9)6-15-4-3-12-7(15)5-10/h3-4H,2,6H2,1H3,(H,11,14).
What are the key properties of 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]imidazole-2-carbonitrile?
1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]imidazole-2-carbonitrile has a molecular weight of 234.29 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]imidazole-2-carbonitrile is sourced from PubChem (CID 80607838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).