2-[4-(dimethylcarbamoyl)piperidin-1-yl]-N-[4-(6-methoxy-3-pyridinyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide

C26H27N5O3S2 — CID 118618771

IUPAC2-[4-(dimethylcarbamoyl)piperidin-1-yl]-N-[4-(6-methoxy-3-pyridinyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCOc1ccc(-c2ccc(NC(=O)c3cc4sc(N5CCC(C(=O)N(C)C)CC5)nc4s3)cc2)cn1
InChIInChI=1S/C26H27N5O3S2/c1-30(2)25(33)17-10-12-31(13-11-17)26-29-24-21(36-26)14-20(35-24)23(32)28-19-7-4-16(5-8-19)18-6-9-22(34-3)27-15-18/h4-9,14-15,17H,10-13H2,1-3H3,(H,28,32)
InChIKeyDTAPNKDKNDLOAK-UHFFFAOYSA-N
MW521.67 g/mol
LogP4.99
Rot. Bonds6

About 2-[4-(dimethylcarbamoyl)piperidin-1-yl]-N-[4-(6-methoxy-3-pyridinyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide

2-[4-(dimethylcarbamoyl)piperidin-1-yl]-N-[4-(6-methoxy-3-pyridinyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 118618771) has the molecular formula C26H27N5O3S2 and a molecular weight of 521.67 g/mol. Its IUPAC name is 2-[4-(dimethylcarbamoyl)piperidin-1-yl]-N-[4-(6-methoxy-3-pyridinyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(dimethylcarbamoyl)piperidin-1-yl]-N-[4-(6-methoxy-3-pyridinyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID118618771
Molecular FormulaC26H27N5O3S2
Molecular Weight521.67 g/mol
Exact Mass521.16
IUPAC Name2-[4-(dimethylcarbamoyl)piperidin-1-yl]-N-[4-(6-methoxy-3-pyridinyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCOc1ccc(-c2ccc(NC(=O)c3cc4sc(N5CCC(C(=O)N(C)C)CC5)nc4s3)cc2)cn1
InChIInChI=1S/C26H27N5O3S2/c1-30(2)25(33)17-10-12-31(13-11-17)26-29-24-21(36-26)14-20(35-24)23(32)28-19-7-4-16(5-8-19)18-6-9-22(34-3)27-15-18/h4-9,14-15,17H,10-13H2,1-3H3,(H,28,32)
InChIKeyDTAPNKDKNDLOAK-UHFFFAOYSA-N
XLogP4.99
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.67
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-(dimethylcarbamoyl)piperidin-1-yl]-N-[4-(6-methoxy-3-pyridinyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylcarbamoyl)piperidin-1-yl]-N-[4-(6-methoxy-3-pyridinyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 2-[4-(dimethylcarbamoyl)piperidin-1-yl]-N-[4-(6-methoxy-3-pyridinyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 118618771) is 2-[4-(dimethylcarbamoyl)piperidin-1-yl]-N-[4-(6-methoxy-3-pyridinyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 2-[4-(dimethylcarbamoyl)piperidin-1-yl]-N-[4-(6-methoxy-3-pyridinyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 2-[4-(dimethylcarbamoyl)piperidin-1-yl]-N-[4-(6-methoxy-3-pyridinyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide is COc1ccc(-c2ccc(NC(=O)c3cc4sc(N5CCC(C(=O)N(C)C)CC5)nc4s3)cc2)cn1.
What is the InChIKey of 2-[4-(dimethylcarbamoyl)piperidin-1-yl]-N-[4-(6-methoxy-3-pyridinyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is DTAPNKDKNDLOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3S2/c1-30(2)25(33)17-10-12-31(13-11-17)26-29-24-21(36-26)14-20(35-24)23(32)28-19-7-4-16(5-8-19)18-6-9-22(34-3)27-15-18/h4-9,14-15,17H,10-13H2,1-3H3,(H,28,32).
What are the key properties of 2-[4-(dimethylcarbamoyl)piperidin-1-yl]-N-[4-(6-methoxy-3-pyridinyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
2-[4-(dimethylcarbamoyl)piperidin-1-yl]-N-[4-(6-methoxy-3-pyridinyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 521.67 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylcarbamoyl)piperidin-1-yl]-N-[4-(6-methoxy-3-pyridinyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 118618771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).