N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide

C16H16N4O5S — CID 43980545

IUPACN-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2nc3cc(OC)c(OC)cc3s2)nc(OC)n1
InChIInChI=1S/C16H16N4O5S/c1-22-10-5-8-12(7-11(10)23-2)26-16(18-8)20-14(21)9-6-13(24-3)19-15(17-9)25-4/h5-7H,1-4H3,(H,18,20,21)
InChIKeySRKBNQOTUWORGX-UHFFFAOYSA-N
MW376.39 g/mol
LogP2.37
Rot. Bonds6

About N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide

N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide (PubChem CID 43980545) has the molecular formula C16H16N4O5S and a molecular weight of 376.39 g/mol. Its IUPAC name is N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide
PubChem CID43980545
Molecular FormulaC16H16N4O5S
Molecular Weight376.39 g/mol
Exact Mass376.08
IUPAC NameN-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2nc3cc(OC)c(OC)cc3s2)nc(OC)n1
InChIInChI=1S/C16H16N4O5S/c1-22-10-5-8-12(7-11(10)23-2)26-16(18-8)20-14(21)9-6-13(24-3)19-15(17-9)25-4/h5-7H,1-4H3,(H,18,20,21)
InChIKeySRKBNQOTUWORGX-UHFFFAOYSA-N
XLogP2.37
TPSA104.69 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide
CID 43994698
5-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 7244543
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-methylthiadiazole-5-carboxamide
CID 43980532
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethyl-5-methylthiophene-2-carboxamide
CID 24600021
1-(3-chlorophenyl)-3-(5,6-dimethoxy-1,3-benzothiazol-2-yl)urea
CID 121081073
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethoxybenzamide
CID 7543004
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide
CID 7295315
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 17100996
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-oxidopyridin-1-ium-3-carboxamide
CID 24600028
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxybenzamide
CID 7543008
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 952889
2-(4-chlorophenoxy)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 43980508

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide?
The IUPAC name of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide (CID 43980545) is N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide.
What is the SMILES notation for N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide?
The canonical SMILES for N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide is COc1cc(C(=O)Nc2nc3cc(OC)c(OC)cc3s2)nc(OC)n1.
What is the InChIKey of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide?
The InChIKey is SRKBNQOTUWORGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O5S/c1-22-10-5-8-12(7-11(10)23-2)26-16(18-8)20-14(21)9-6-13(24-3)19-15(17-9)25-4/h5-7H,1-4H3,(H,18,20,21).
What are the key properties of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide?
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide has a molecular weight of 376.39 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide is sourced from PubChem (CID 43980545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).