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

C22H23N5O3S2 — CID 118618746

IUPAC2-[4-(dimethylcarbamoyl)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(C(=O)N(C)C)CC5)nc4s3)ccc2o1
InChIInChI=1S/C22H23N5O3S2/c1-12-23-15-10-14(4-5-16(15)30-12)24-19(28)17-11-18-20(31-17)25-22(32-18)27-8-6-13(7-9-27)21(29)26(2)3/h4-5,10-11,13H,6-9H2,1-3H3,(H,24,28)
InChIKeyAIMDOKRPWXBXFC-UHFFFAOYSA-N
MW469.59 g/mol
LogP4.36
Rot. Bonds4

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

2-[4-(dimethylcarbamoyl)piperidin-1-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 118618746) has the molecular formula C22H23N5O3S2 and a molecular weight of 469.59 g/mol. Its IUPAC name is 2-[4-(dimethylcarbamoyl)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-(dimethylcarbamoyl)piperidin-1-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID118618746
Molecular FormulaC22H23N5O3S2
Molecular Weight469.59 g/mol
Exact Mass469.12
IUPAC Name2-[4-(dimethylcarbamoyl)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(C(=O)N(C)C)CC5)nc4s3)ccc2o1
InChIInChI=1S/C22H23N5O3S2/c1-12-23-15-10-14(4-5-16(15)30-12)24-19(28)17-11-18-20(31-17)25-22(32-18)27-8-6-13(7-9-27)21(29)26(2)3/h4-5,10-11,13H,6-9H2,1-3H3,(H,24,28)
InChIKeyAIMDOKRPWXBXFC-UHFFFAOYSA-N
XLogP4.36
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylcarbamoyl)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-(dimethylcarbamoyl)piperidin-1-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 118618746) is 2-[4-(dimethylcarbamoyl)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-(dimethylcarbamoyl)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-(dimethylcarbamoyl)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(C(=O)N(C)C)CC5)nc4s3)ccc2o1.
What is the InChIKey of 2-[4-(dimethylcarbamoyl)piperidin-1-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is AIMDOKRPWXBXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3S2/c1-12-23-15-10-14(4-5-16(15)30-12)24-19(28)17-11-18-20(31-17)25-22(32-18)27-8-6-13(7-9-27)21(29)26(2)3/h4-5,10-11,13H,6-9H2,1-3H3,(H,24,28).
What are the key properties of 2-[4-(dimethylcarbamoyl)piperidin-1-yl]-N-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide?
2-[4-(dimethylcarbamoyl)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 469.59 g/mol, XLogP of 4.36, 4 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-(2-methyl-1,3-benzoxazol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 118618746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).