N-(6-methoxy-1,3-benzothiazol-2-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide

C17H18N4O2S2 — CID 23910638

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3csc(C4CCNCC4)n3)sc2c1
InChIInChI=1S/C17H18N4O2S2/c1-23-11-2-3-12-14(8-11)25-17(20-12)21-15(22)13-9-24-16(19-13)10-4-6-18-7-5-10/h2-3,8-10,18H,4-7H2,1H3,(H,20,21,22)
InChIKeyDGRACDQNFUOZOV-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.48
Rot. Bonds4

About N-(6-methoxy-1,3-benzothiazol-2-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 23910638) has the molecular formula C17H18N4O2S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID23910638
Molecular FormulaC17H18N4O2S2
Molecular Weight374.49 g/mol
Exact Mass374.09
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3csc(C4CCNCC4)n3)sc2c1
InChIInChI=1S/C17H18N4O2S2/c1-23-11-2-3-12-14(8-11)25-17(20-12)21-15(22)13-9-24-16(19-13)10-4-6-18-7-5-10/h2-3,8-10,18H,4-7H2,1H3,(H,20,21,22)
InChIKeyDGRACDQNFUOZOV-UHFFFAOYSA-N
XLogP3.48
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 3847560
2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 3682249
2-acetamido-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 39046251
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 36662741
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 863482
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119669334
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119669352
2-(2,4-dimethoxyanilino)-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 16955129
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
CID 739502
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)benzamide
CID 3515602
N-(1,3-benzothiazol-2-yl)-2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3751573

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide (CID 23910638) is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide is COc1ccc2nc(NC(=O)c3csc(C4CCNCC4)n3)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is DGRACDQNFUOZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S2/c1-23-11-2-3-12-14(8-11)25-17(20-12)21-15(22)13-9-24-16(19-13)10-4-6-18-7-5-10/h2-3,8-10,18H,4-7H2,1H3,(H,20,21,22).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 23910638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).