2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide

C20H20N4O3S2 — CID 140783694

IUPAC2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCc1nc2cc(NC(=O)c3cc4sc(N5CCC(CO)CC5)nc4s3)ccc2o1
InChIInChI=1S/C20H20N4O3S2/c1-11-21-14-8-13(2-3-15(14)27-11)22-18(26)16-9-17-19(28-16)23-20(29-17)24-6-4-12(10-25)5-7-24/h2-3,8-9,12,25H,4-7,10H2,1H3,(H,22,26)
InChIKeyGJJAZZFYYQIMDE-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.27
Rot. Bonds4

About 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide

2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 140783694) has the molecular formula C20H20N4O3S2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID140783694
Molecular FormulaC20H20N4O3S2
Molecular Weight428.54 g/mol
Exact Mass428.10
IUPAC Name2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCc1nc2cc(NC(=O)c3cc4sc(N5CCC(CO)CC5)nc4s3)ccc2o1
InChIInChI=1S/C20H20N4O3S2/c1-11-21-14-8-13(2-3-15(14)27-11)22-18(26)16-9-17-19(28-16)23-20(29-17)24-6-4-12(10-25)5-7-24/h2-3,8-9,12,25H,4-7,10H2,1H3,(H,22,26)
InChIKeyGJJAZZFYYQIMDE-UHFFFAOYSA-N
XLogP4.27
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)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-(hydroxymethyl)piperidin-1-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 140783694) is 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide is Cc1nc2cc(NC(=O)c3cc4sc(N5CCC(CO)CC5)nc4s3)ccc2o1.
What is the InChIKey of 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is GJJAZZFYYQIMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S2/c1-11-21-14-8-13(2-3-15(14)27-11)22-18(26)16-9-17-19(28-16)23-20(29-17)24-6-4-12(10-25)5-7-24/h2-3,8-9,12,25H,4-7,10H2,1H3,(H,22,26).
What are the key properties of 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 140783694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).