N-(2-cyanophenyl)-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide

C14H10N4OS — CID 170721783

IUPACN-(2-cyanophenyl)-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
SMILESCc1nc2[nH]c(C(=O)Nc3ccccc3C#N)cc2s1
InChIInChI=1S/C14H10N4OS/c1-8-16-13-12(20-8)6-11(17-13)14(19)18-10-5-3-2-4-9(10)7-15/h2-6,17H,1H3,(H,18,19)
InChIKeyKQQUZDRCPHTZNM-UHFFFAOYSA-N
MW282.33 g/mol
LogP3.06
Rot. Bonds2

About N-(2-cyanophenyl)-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide

N-(2-cyanophenyl)-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 170721783) has the molecular formula C14H10N4OS and a molecular weight of 282.33 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID170721783
Molecular FormulaC14H10N4OS
Molecular Weight282.33 g/mol
Exact Mass282.06
IUPAC NameN-(2-cyanophenyl)-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
SMILESCc1nc2[nH]c(C(=O)Nc3ccccc3C#N)cc2s1
InChIInChI=1S/C14H10N4OS/c1-8-16-13-12(20-8)6-11(17-13)14(19)18-10-5-3-2-4-9(10)7-15/h2-6,17H,1H3,(H,18,19)
InChIKeyKQQUZDRCPHTZNM-UHFFFAOYSA-N
XLogP3.06
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanophenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110864602
N-(2-cyanophenyl)-4-methylbenzamide
CID 2542047
N-(2-cyanophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110864734
3-benzamido-N-(2-cyanophenyl)-4-methylbenzamide
CID 17226453
4-N-(2-cyanophenyl)-1-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109049652
N-(2-cyanophenyl)-2-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 112849682
2-(2-cyanoanilino)-N-(2-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109338178
N-(2-cyanophenyl)-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 112848255
N-(2-cyanophenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848947
N-[4-[[6-(2-cyanoanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112878813
3,4-dichloro-N-(2-cyanophenyl)benzamide
CID 798668
N-(2-cyanophenyl)-1,2-thiazole-5-carboxamide
CID 110692262

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide (CID 170721783) is N-(2-cyanophenyl)-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide is Cc1nc2[nH]c(C(=O)Nc3ccccc3C#N)cc2s1.
What is the InChIKey of N-(2-cyanophenyl)-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is KQQUZDRCPHTZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4OS/c1-8-16-13-12(20-8)6-11(17-13)14(19)18-10-5-3-2-4-9(10)7-15/h2-6,17H,1H3,(H,18,19).
What are the key properties of N-(2-cyanophenyl)-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
N-(2-cyanophenyl)-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 282.33 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 170721783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).