N-(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide

C16H15N3O2S — CID 14700265

IUPACN-(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
SMILESCc1c(O)c(C)c2sc(NC(=O)c3cccnc3)nc2c1C
InChIInChI=1S/C16H15N3O2S/c1-8-9(2)13(20)10(3)14-12(8)18-16(22-14)19-15(21)11-5-4-6-17-7-11/h4-7,20H,1-3H3,(H,18,19,21)
InChIKeyOOAJMDZREMTNOP-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.57
Rot. Bonds2

About N-(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide

N-(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide (PubChem CID 14700265) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
PubChem CID14700265
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
SMILESCc1c(O)c(C)c2sc(NC(=O)c3cccnc3)nc2c1C
InChIInChI=1S/C16H15N3O2S/c1-8-9(2)13(20)10(3)14-12(8)18-16(22-14)19-15(21)11-5-4-6-17-7-11/h4-7,20H,1-3H3,(H,18,19,21)
InChIKeyOOAJMDZREMTNOP-UHFFFAOYSA-N
XLogP3.57
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 693380
N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide;hydrochloride
CID 110756954
N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)pyridine-3-carboxamide
CID 121082936
N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46674310
N-(4-acetyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 60716919
N-(5-amino-4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 82342389
N-(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 14700264
N-[5-(methylamino)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 71416829
N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 47064687
N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide
CID 4178548
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyridine-3-carboxamide
CID 170421226
N-(4-chloro-5-pyrrolidin-1-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 71416793

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide (CID 14700265) is N-(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide is Cc1c(O)c(C)c2sc(NC(=O)c3cccnc3)nc2c1C.
What is the InChIKey of N-(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is OOAJMDZREMTNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-8-9(2)13(20)10(3)14-12(8)18-16(22-14)19-15(21)11-5-4-6-17-7-11/h4-7,20H,1-3H3,(H,18,19,21).
What are the key properties of N-(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide?
N-(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 14700265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).