1,5-dimethyl-4-[(thiadiazol-5-ylamino)methyl]pyrrole-2-carbonitrile

C10H11N5S — CID 107234340

IUPAC1,5-dimethyl-4-[(thiadiazol-5-ylamino)methyl]pyrrole-2-carbonitrile
SMILESCc1c(CNc2cnns2)cc(C#N)n1C
InChIInChI=1S/C10H11N5S/c1-7-8(3-9(4-11)15(7)2)5-12-10-6-13-14-16-10/h3,6,12H,5H2,1-2H3
InChIKeyAJQGNFHAZGOMIR-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.67
Rot. Bonds3

About 1,5-dimethyl-4-[(thiadiazol-5-ylamino)methyl]pyrrole-2-carbonitrile

1,5-dimethyl-4-[(thiadiazol-5-ylamino)methyl]pyrrole-2-carbonitrile (PubChem CID 107234340) has the molecular formula C10H11N5S and a molecular weight of 233.30 g/mol. Its IUPAC name is 1,5-dimethyl-4-[(thiadiazol-5-ylamino)methyl]pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1,5-dimethyl-4-[(thiadiazol-5-ylamino)methyl]pyrrole-2-carbonitrile
PubChem CID107234340
Molecular FormulaC10H11N5S
Molecular Weight233.30 g/mol
Exact Mass233.07
IUPAC Name1,5-dimethyl-4-[(thiadiazol-5-ylamino)methyl]pyrrole-2-carbonitrile
SMILESCc1c(CNc2cnns2)cc(C#N)n1C
InChIInChI=1S/C10H11N5S/c1-7-8(3-9(4-11)15(7)2)5-12-10-6-13-14-16-10/h3,6,12H,5H2,1-2H3
InChIKeyAJQGNFHAZGOMIR-UHFFFAOYSA-N
XLogP1.67
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,5-dimethyl-4-[[(6-methyl-3-pyridinyl)amino]methyl]pyrrole-2-carbonitrile
CID 115742362
4-[[(5-ethyl-1,3-thiazol-2-yl)amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 75505661
1,5-dimethyl-4-[(2,4,6-trimethylanilino)methyl]pyrrole-2-carbonitrile
CID 115977096
4-[[(6-chloro-3-pyridinyl)amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 113353601
4-[(3-chloro-4-hydroxyanilino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 107678296
4-[(cyclopropylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 115572535
4-[(but-2-ynylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 115866355
4-[(1H-indazol-5-ylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 75389926
4-[[(2-bromo-3-pyridinyl)amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 114051573
4-[(3-bromoanilino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 115584961
1,5-dimethyl-4-[(naphthalen-2-ylamino)methyl]pyrrole-2-carbonitrile
CID 115584985
4-(aminomethyl)-1,5-dimethylpyrrole-2-carbonitrile
CID 115685826

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-[(thiadiazol-5-ylamino)methyl]pyrrole-2-carbonitrile?
The IUPAC name of 1,5-dimethyl-4-[(thiadiazol-5-ylamino)methyl]pyrrole-2-carbonitrile (CID 107234340) is 1,5-dimethyl-4-[(thiadiazol-5-ylamino)methyl]pyrrole-2-carbonitrile.
What is the SMILES notation for 1,5-dimethyl-4-[(thiadiazol-5-ylamino)methyl]pyrrole-2-carbonitrile?
The canonical SMILES for 1,5-dimethyl-4-[(thiadiazol-5-ylamino)methyl]pyrrole-2-carbonitrile is Cc1c(CNc2cnns2)cc(C#N)n1C.
What is the InChIKey of 1,5-dimethyl-4-[(thiadiazol-5-ylamino)methyl]pyrrole-2-carbonitrile?
The InChIKey is AJQGNFHAZGOMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5S/c1-7-8(3-9(4-11)15(7)2)5-12-10-6-13-14-16-10/h3,6,12H,5H2,1-2H3.
What are the key properties of 1,5-dimethyl-4-[(thiadiazol-5-ylamino)methyl]pyrrole-2-carbonitrile?
1,5-dimethyl-4-[(thiadiazol-5-ylamino)methyl]pyrrole-2-carbonitrile has a molecular weight of 233.30 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-[(thiadiazol-5-ylamino)methyl]pyrrole-2-carbonitrile is sourced from PubChem (CID 107234340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).