N-(4-cyanophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide

C18H16N4OS2 — CID 118618312

IUPACN-(4-cyanophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc3nc(N4CCCCC4)sc3s2)cc1
InChIInChI=1S/C18H16N4OS2/c19-11-12-4-6-13(7-5-12)20-16(23)15-10-14-17(24-15)25-18(21-14)22-8-2-1-3-9-22/h4-7,10H,1-3,8-9H2,(H,20,23)
InChIKeyTVLGJXSZLFNDCO-UHFFFAOYSA-N
MW368.49 g/mol
LogP4.47
Rot. Bonds3

About N-(4-cyanophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide

N-(4-cyanophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide (PubChem CID 118618312) has the molecular formula C18H16N4OS2 and a molecular weight of 368.49 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide
PubChem CID118618312
Molecular FormulaC18H16N4OS2
Molecular Weight368.49 g/mol
Exact Mass368.08
IUPAC NameN-(4-cyanophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc3nc(N4CCCCC4)sc3s2)cc1
InChIInChI=1S/C18H16N4OS2/c19-11-12-4-6-13(7-5-12)20-16(23)15-10-14-17(24-15)25-18(21-14)22-8-2-1-3-9-22/h4-7,10H,1-3,8-9H2,(H,20,23)
InChIKeyTVLGJXSZLFNDCO-UHFFFAOYSA-N
XLogP4.47
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-cyanophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362875
6-(azepan-1-yl)-N-(4-cyanophenyl)pyrimidine-4-carboxamide
CID 109355588
1-(1,3-benzothiazol-2-yl)-N-(4-cyanophenyl)piperidine-4-carboxamide
CID 90609420
5-(azepan-1-yl)-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109196949
2-(4-fluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone
CID 159657618
N-(4-methylphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide
CID 46261514
N-(4-cyanophenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128332
2-(3,4-difluorophenyl)-1-(2-piperidin-1-ylthieno[3,2-d][1,3]thiazol-5-yl)ethanone
CID 159134942
N-(4-cyanophenyl)piperidine-1-carboxamide
CID 89462027
5-(4-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109246057
N-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-benzothiazole-5-carboxamide
CID 118618806
N-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide
CID 118618781

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide (CID 118618312) is N-(4-cyanophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide is N#Cc1ccc(NC(=O)c2cc3nc(N4CCCCC4)sc3s2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide?
The InChIKey is TVLGJXSZLFNDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS2/c19-11-12-4-6-13(7-5-12)20-16(23)15-10-14-17(24-15)25-18(21-14)22-8-2-1-3-9-22/h4-7,10H,1-3,8-9H2,(H,20,23).
What are the key properties of N-(4-cyanophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide?
N-(4-cyanophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide has a molecular weight of 368.49 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 118618312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).