4,5-dicyano-1,3-thiazole-2-carboxamide

C6H2N4OS — CID 102300920

IUPAC4,5-dicyano-1,3-thiazole-2-carboxamide
SMILESN#Cc1nc(C(N)=O)sc1C#N
InChIInChI=1S/C6H2N4OS/c7-1-3-4(2-8)12-6(10-3)5(9)11/h(H2,9,11)
InChIKeyVINJYIKOJCORTE-UHFFFAOYSA-N
MW178.18 g/mol
LogP-0.01
Rot. Bonds1

About 4,5-dicyano-1,3-thiazole-2-carboxamide

4,5-dicyano-1,3-thiazole-2-carboxamide (PubChem CID 102300920) has the molecular formula C6H2N4OS and a molecular weight of 178.18 g/mol. Its IUPAC name is 4,5-dicyano-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4,5-dicyano-1,3-thiazole-2-carboxamide
PubChem CID102300920
Molecular FormulaC6H2N4OS
Molecular Weight178.18 g/mol
Exact Mass177.99
IUPAC Name4,5-dicyano-1,3-thiazole-2-carboxamide
SMILESN#Cc1nc(C(N)=O)sc1C#N
InChIInChI=1S/C6H2N4OS/c7-1-3-4(2-8)12-6(10-3)5(9)11/h(H2,9,11)
InChIKeyVINJYIKOJCORTE-UHFFFAOYSA-N
XLogP-0.01
TPSA103.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dimethyl-1,3-thiazole-2-carboxamide
CID 22382631
6-cyano-4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide
CID 137462528
3-cyanopyrazine-2-carboxamide
CID 12747373
6-[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 174974077
2-[(5-cyano-4-methyl-1,3-thiazol-2-yl)oxy]acetamide
CID 139747139
3,5-diaminopyrazine-2,6-dicarbonitrile
CID 19022925
4-methylthiadiazole-5-carbonitrile;4-methylthiadiazole-5-carboxamide
CID 90690649
2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-3-methylbutanamide
CID 107257888
4-amino-5-cyano-2-(propan-2-ylamino)thiophene-3-carboxamide
CID 103423198
6-cyano-4-(difluoromethyl)-5-fluoropyridine-2-carboxamide
CID 119024543
6-cyano-5-(difluoromethyl)-4-fluoropyridine-2-carboxamide
CID 118992430
2-cyano-5-phenyl-1,3-thiazole-4-carboxamide
CID 86066277

Frequently Asked Questions

What is the IUPAC name of 4,5-dicyano-1,3-thiazole-2-carboxamide?
The IUPAC name of 4,5-dicyano-1,3-thiazole-2-carboxamide (CID 102300920) is 4,5-dicyano-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4,5-dicyano-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4,5-dicyano-1,3-thiazole-2-carboxamide is N#Cc1nc(C(N)=O)sc1C#N.
What is the InChIKey of 4,5-dicyano-1,3-thiazole-2-carboxamide?
The InChIKey is VINJYIKOJCORTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2N4OS/c7-1-3-4(2-8)12-6(10-3)5(9)11/h(H2,9,11).
What are the key properties of 4,5-dicyano-1,3-thiazole-2-carboxamide?
4,5-dicyano-1,3-thiazole-2-carboxamide has a molecular weight of 178.18 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dicyano-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 102300920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).