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

C17H16ClN3OS2 — CID 118618374

IUPACN-(4-chlorophenyl)-2-piperidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc2sc(N3CCCCC3)nc2s1
InChIInChI=1S/C17H16ClN3OS2/c18-11-4-6-12(7-5-11)19-15(22)13-10-14-16(23-13)20-17(24-14)21-8-2-1-3-9-21/h4-7,10H,1-3,8-9H2,(H,19,22)
InChIKeyPDMZPBFBXLJTPA-UHFFFAOYSA-N
MW377.92 g/mol
LogP5.25
Rot. Bonds3

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

N-(4-chlorophenyl)-2-piperidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 118618374) has the molecular formula C17H16ClN3OS2 and a molecular weight of 377.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-piperidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-piperidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID118618374
Molecular FormulaC17H16ClN3OS2
Molecular Weight377.92 g/mol
Exact Mass377.04
IUPAC NameN-(4-chlorophenyl)-2-piperidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc2sc(N3CCCCC3)nc2s1
InChIInChI=1S/C17H16ClN3OS2/c18-11-4-6-12(7-5-11)19-15(22)13-10-14-16(23-13)20-17(24-14)21-8-2-1-3-9-21/h4-7,10H,1-3,8-9H2,(H,19,22)
InChIKeyPDMZPBFBXLJTPA-UHFFFAOYSA-N
XLogP5.25
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.92
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-piperidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-piperidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide (CID 118618374) is N-(4-chlorophenyl)-2-piperidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-piperidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-piperidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide is O=C(Nc1ccc(Cl)cc1)c1cc2sc(N3CCCCC3)nc2s1.
What is the InChIKey of N-(4-chlorophenyl)-2-piperidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is PDMZPBFBXLJTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3OS2/c18-11-4-6-12(7-5-11)19-15(22)13-10-14-16(23-13)20-17(24-14)21-8-2-1-3-9-21/h4-7,10H,1-3,8-9H2,(H,19,22).
What are the key properties of N-(4-chlorophenyl)-2-piperidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide?
N-(4-chlorophenyl)-2-piperidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 377.92 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-piperidin-1-ylthieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 118618374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).