1-methyl-4-[(1,3-thiazol-2-ylamino)methyl]pyrrole-2-carbonitrile

C10H10N4S — CID 103203387

IUPAC1-methyl-4-[(1,3-thiazol-2-ylamino)methyl]pyrrole-2-carbonitrile
SMILESCn1cc(CNc2nccs2)cc1C#N
InChIInChI=1S/C10H10N4S/c1-14-7-8(4-9(14)5-11)6-13-10-12-2-3-15-10/h2-4,7H,6H2,1H3,(H,12,13)
InChIKeyCORVWLQSTLYRQY-UHFFFAOYSA-N
MW218.28 g/mol
LogP1.97
Rot. Bonds3

About 1-methyl-4-[(1,3-thiazol-2-ylamino)methyl]pyrrole-2-carbonitrile

1-methyl-4-[(1,3-thiazol-2-ylamino)methyl]pyrrole-2-carbonitrile (PubChem CID 103203387) has the molecular formula C10H10N4S and a molecular weight of 218.28 g/mol. Its IUPAC name is 1-methyl-4-[(1,3-thiazol-2-ylamino)methyl]pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-methyl-4-[(1,3-thiazol-2-ylamino)methyl]pyrrole-2-carbonitrile
PubChem CID103203387
Molecular FormulaC10H10N4S
Molecular Weight218.28 g/mol
Exact Mass218.06
IUPAC Name1-methyl-4-[(1,3-thiazol-2-ylamino)methyl]pyrrole-2-carbonitrile
SMILESCn1cc(CNc2nccs2)cc1C#N
InChIInChI=1S/C10H10N4S/c1-14-7-8(4-9(14)5-11)6-13-10-12-2-3-15-10/h2-4,7H,6H2,1H3,(H,12,13)
InChIKeyCORVWLQSTLYRQY-UHFFFAOYSA-N
XLogP1.97
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-[[2-(1,3-thiazol-2-yl)propan-2-ylamino]methyl]pyrrole-2-carbonitrile
CID 103527307
4-[[(2-chloro-3-pyridinyl)amino]methyl]-1-methylpyrrole-2-carbonitrile
CID 103202815
1-methyl-4-[(2,2,3-trimethylbutylamino)methyl]pyrrole-2-carbonitrile
CID 103527727
4-[(4-bromo-2,6-dimethylanilino)methyl]-1-methylpyrrole-2-carbonitrile
CID 103203078
1-methyl-4-[(thiophen-3-ylmethylamino)methyl]pyrrole-2-carbonitrile
CID 103203285
1-methyl-4-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]pyrrole-2-carbonitrile
CID 103203468
4-[[(6-imidazol-1-yl-3-pyridinyl)amino]methyl]-1-methylpyrrole-2-carbonitrile
CID 103202852
4-[(2,4-dimethylanilino)methyl]-1-methylpyrrole-2-carbonitrile
CID 103202443
4-[(1,3-dihydroxypropan-2-ylamino)methyl]-1-methylpyrrole-2-carbonitrile
CID 103203356
1-methyl-4-[(2-methylpropoxyamino)methyl]pyrrole-2-carbonitrile
CID 103203502
4-[(3,4-dimethoxyanilino)methyl]-1-methylpyrrole-2-carbonitrile
CID 103202497
4-[(4-hydroxy-2-methylanilino)methyl]-1-methylpyrrole-2-carbonitrile
CID 103203332

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(1,3-thiazol-2-ylamino)methyl]pyrrole-2-carbonitrile?
The IUPAC name of 1-methyl-4-[(1,3-thiazol-2-ylamino)methyl]pyrrole-2-carbonitrile (CID 103203387) is 1-methyl-4-[(1,3-thiazol-2-ylamino)methyl]pyrrole-2-carbonitrile.
What is the SMILES notation for 1-methyl-4-[(1,3-thiazol-2-ylamino)methyl]pyrrole-2-carbonitrile?
The canonical SMILES for 1-methyl-4-[(1,3-thiazol-2-ylamino)methyl]pyrrole-2-carbonitrile is Cn1cc(CNc2nccs2)cc1C#N.
What is the InChIKey of 1-methyl-4-[(1,3-thiazol-2-ylamino)methyl]pyrrole-2-carbonitrile?
The InChIKey is CORVWLQSTLYRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4S/c1-14-7-8(4-9(14)5-11)6-13-10-12-2-3-15-10/h2-4,7H,6H2,1H3,(H,12,13).
What are the key properties of 1-methyl-4-[(1,3-thiazol-2-ylamino)methyl]pyrrole-2-carbonitrile?
1-methyl-4-[(1,3-thiazol-2-ylamino)methyl]pyrrole-2-carbonitrile has a molecular weight of 218.28 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(1,3-thiazol-2-ylamino)methyl]pyrrole-2-carbonitrile is sourced from PubChem (CID 103203387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).