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N-(2-methyl-1,3-benzoxazol-6-yl)-2-piperidin-1-yl-7H-thiopyrano[2,3-d][1,3]thiazole-5-carboxamide;molecular hydrogen

C20H22N4O2S2 — CID 144980284

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(2-methyl-1,3-benzoxazol-6-yl)-2-piperidin-1-yl-7H-thiopyrano[2,3-d][1,3]thiazole-5-carboxamide;molecular hydrogen
SMILESCc1nc2ccc(NC(=O)C3=CCc4sc(N5CCCCC5)nc4S3)cc2o1.[H][H]
InChIInChI=1S/C20H20N4O2S2.H2/c1-12-21-14-6-5-13(11-15(14)26-12)22-18(25)16-7-8-17-19(27-16)23-20(28-17)24-9-3-2-4-10-24;/h5-7,11H,2-4,8-10H2,1H3,(H,22,25);1H
InChIKeyKZTSWHVRBBQKRA-UHFFFAOYSA-N
MW414.56 g/mol
LogP5.00
Rot. Bonds3

About N-(2-methyl-1,3-benzoxazol-6-yl)-2-piperidin-1-yl-7H-thiopyrano[2,3-d][1,3]thiazole-5-carboxamide;molecular hydrogen

N-(2-methyl-1,3-benzoxazol-6-yl)-2-piperidin-1-yl-7H-thiopyrano[2,3-d][1,3]thiazole-5-carboxamide;molecular hydrogen (PubChem CID 144980284) has the molecular formula C20H22N4O2S2 and a molecular weight of 414.56 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-6-yl)-2-piperidin-1-yl-7H-thiopyrano[2,3-d][1,3]thiazole-5-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-6-yl)-2-piperidin-1-yl-7H-thiopyrano[2,3-d][1,3]thiazole-5-carboxamide;molecular hydrogen
PubChem CID144980284
Molecular FormulaC20H22N4O2S2
Molecular Weight414.56 g/mol
Exact Mass414.12
IUPAC NameN-(2-methyl-1,3-benzoxazol-6-yl)-2-piperidin-1-yl-7H-thiopyrano[2,3-d][1,3]thiazole-5-carboxamide;molecular hydrogen
SMILESCc1nc2ccc(NC(=O)C3=CCc4sc(N5CCCCC5)nc4S3)cc2o1.[H][H]
InChIInChI=1S/C20H20N4O2S2.H2/c1-12-21-14-6-5-13(11-15(14)26-12)22-18(25)16-7-8-17-19(27-16)23-20(28-17)24-9-3-2-4-10-24;/h5-7,11H,2-4,8-10H2,1H3,(H,22,25);1H
InChIKeyKZTSWHVRBBQKRA-UHFFFAOYSA-N
XLogP5.00
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.56
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-6-yl)-2-piperidin-1-yl-7H-thiopyrano[2,3-d][1,3]thiazole-5-carboxamide;molecular hydrogen?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-6-yl)-2-piperidin-1-yl-7H-thiopyrano[2,3-d][1,3]thiazole-5-carboxamide;molecular hydrogen (CID 144980284) is N-(2-methyl-1,3-benzoxazol-6-yl)-2-piperidin-1-yl-7H-thiopyrano[2,3-d][1,3]thiazole-5-carboxamide;molecular hydrogen.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-6-yl)-2-piperidin-1-yl-7H-thiopyrano[2,3-d][1,3]thiazole-5-carboxamide;molecular hydrogen?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-6-yl)-2-piperidin-1-yl-7H-thiopyrano[2,3-d][1,3]thiazole-5-carboxamide;molecular hydrogen is Cc1nc2ccc(NC(=O)C3=CCc4sc(N5CCCCC5)nc4S3)cc2o1.[H][H].
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-6-yl)-2-piperidin-1-yl-7H-thiopyrano[2,3-d][1,3]thiazole-5-carboxamide;molecular hydrogen?
The InChIKey is KZTSWHVRBBQKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S2.H2/c1-12-21-14-6-5-13(11-15(14)26-12)22-18(25)16-7-8-17-19(27-16)23-20(28-17)24-9-3-2-4-10-24;/h5-7,11H,2-4,8-10H2,1H3,(H,22,25);1H.
What are the key properties of N-(2-methyl-1,3-benzoxazol-6-yl)-2-piperidin-1-yl-7H-thiopyrano[2,3-d][1,3]thiazole-5-carboxamide;molecular hydrogen?
N-(2-methyl-1,3-benzoxazol-6-yl)-2-piperidin-1-yl-7H-thiopyrano[2,3-d][1,3]thiazole-5-carboxamide;molecular hydrogen has a molecular weight of 414.56 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzoxazol-6-yl)-2-piperidin-1-yl-7H-thiopyrano[2,3-d][1,3]thiazole-5-carboxamide;molecular hydrogen is sourced from PubChem (CID 144980284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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