5-(1,3-benzothiazol-5-ylamino)pyrazine-2-carbonitrile

C12H7N5S — CID 100621011

IUPAC5-(1,3-benzothiazol-5-ylamino)pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2ccc3scnc3c2)cn1
InChIInChI=1S/C12H7N5S/c13-4-9-5-15-12(6-14-9)17-8-1-2-11-10(3-8)16-7-18-11/h1-3,5-7H,(H,15,17)
InChIKeyLIGSMMAMLDYEQI-UHFFFAOYSA-N
MW253.29 g/mol
LogP2.70
Rot. Bonds2

About 5-(1,3-benzothiazol-5-ylamino)pyrazine-2-carbonitrile

5-(1,3-benzothiazol-5-ylamino)pyrazine-2-carbonitrile (PubChem CID 100621011) has the molecular formula C12H7N5S and a molecular weight of 253.29 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-5-ylamino)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(1,3-benzothiazol-5-ylamino)pyrazine-2-carbonitrile
PubChem CID100621011
Molecular FormulaC12H7N5S
Molecular Weight253.29 g/mol
Exact Mass253.04
IUPAC Name5-(1,3-benzothiazol-5-ylamino)pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2ccc3scnc3c2)cn1
InChIInChI=1S/C12H7N5S/c13-4-9-5-15-12(6-14-9)17-8-1-2-11-10(3-8)16-7-18-11/h1-3,5-7H,(H,15,17)
InChIKeyLIGSMMAMLDYEQI-UHFFFAOYSA-N
XLogP2.70
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(1,3-benzothiazol-5-ylamino)pyrazine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3,5-dimethylanilino)pyrazine-2-carbonitrile
CID 63658538
5-[(2-tert-butyl-1,3-benzothiazol-6-yl)amino]pyrazine-2-carbonitrile
CID 133484499
5-[(1,2-dimethylbenzimidazol-5-yl)amino]pyrazine-2-carbonitrile
CID 133484842
1,3-benzothiazole-5-carbonitrile
CID 10702104
5-(3-fluoro-5-methylanilino)pyrazine-2-carbonitrile
CID 79049483
5-[4-(2,2,2-trifluoroethyl)anilino]pyrazine-2-carbonitrile
CID 133484054
N-(5-bromo-4-methyl-2-pyridinyl)-1,3-benzothiazol-6-amine
CID 107801119
5-[3-(ethylsulfanylmethyl)anilino]pyrazine-2-carbonitrile
CID 133484065
N-(4,5-dihydropyrimidin-6-yl)-1,3-benzothiazol-5-amine
CID 123852220
4-(1,3-benzothiazol-6-ylamino)-2-fluorobenzonitrile
CID 107805491
6-amino-4-(1,3-benzothiazol-5-ylamino)-7-ethoxy-2-ethylquinoline-3-carbonitrile
CID 177179076
5-[[6-(1,3-dihydroxypropan-2-ylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
CID 42610779

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-5-ylamino)pyrazine-2-carbonitrile?
The IUPAC name of 5-(1,3-benzothiazol-5-ylamino)pyrazine-2-carbonitrile (CID 100621011) is 5-(1,3-benzothiazol-5-ylamino)pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(1,3-benzothiazol-5-ylamino)pyrazine-2-carbonitrile?
The canonical SMILES for 5-(1,3-benzothiazol-5-ylamino)pyrazine-2-carbonitrile is N#Cc1cnc(Nc2ccc3scnc3c2)cn1.
What is the InChIKey of 5-(1,3-benzothiazol-5-ylamino)pyrazine-2-carbonitrile?
The InChIKey is LIGSMMAMLDYEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N5S/c13-4-9-5-15-12(6-14-9)17-8-1-2-11-10(3-8)16-7-18-11/h1-3,5-7H,(H,15,17).
What are the key properties of 5-(1,3-benzothiazol-5-ylamino)pyrazine-2-carbonitrile?
5-(1,3-benzothiazol-5-ylamino)pyrazine-2-carbonitrile has a molecular weight of 253.29 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-5-ylamino)pyrazine-2-carbonitrile is sourced from PubChem (CID 100621011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).