N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide

C15H13ClN4O4S — CID 43994698

IUPACN-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2nc3c(OC)ccc(Cl)c3s2)nc(OC)n1
InChIInChI=1S/C15H13ClN4O4S/c1-22-9-5-4-7(16)12-11(9)19-15(25-12)20-13(21)8-6-10(23-2)18-14(17-8)24-3/h4-6H,1-3H3,(H,19,20,21)
InChIKeyLWUBQJSMHJRJTA-UHFFFAOYSA-N
MW380.81 g/mol
LogP3.02
Rot. Bonds5

About N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide

N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide (PubChem CID 43994698) has the molecular formula C15H13ClN4O4S and a molecular weight of 380.81 g/mol. Its IUPAC name is N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide
PubChem CID43994698
Molecular FormulaC15H13ClN4O4S
Molecular Weight380.81 g/mol
Exact Mass380.03
IUPAC NameN-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2nc3c(OC)ccc(Cl)c3s2)nc(OC)n1
InChIInChI=1S/C15H13ClN4O4S/c1-22-9-5-4-7(16)12-11(9)19-15(25-12)20-13(21)8-6-10(23-2)18-14(17-8)24-3/h4-6H,1-3H3,(H,19,20,21)
InChIKeyLWUBQJSMHJRJTA-UHFFFAOYSA-N
XLogP3.02
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.81
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide
CID 43980545
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7590117
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(diaminomethylideneamino)-1,3-thiazole-4-carboxamide
CID 15050541
4-benzoyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41073963
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 7590058
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(dimethylamino)benzamide
CID 7590088
1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-ethylurea
CID 121082763
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 43994655
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848238
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide
CID 7590113
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-ethylsulfanylbenzamide
CID 7590122
1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-(3-methylphenyl)urea
CID 121081229

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide?
The IUPAC name of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide (CID 43994698) is N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide.
What is the SMILES notation for N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide?
The canonical SMILES for N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide is COc1cc(C(=O)Nc2nc3c(OC)ccc(Cl)c3s2)nc(OC)n1.
What is the InChIKey of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide?
The InChIKey is LWUBQJSMHJRJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O4S/c1-22-9-5-4-7(16)12-11(9)19-15(25-12)20-13(21)8-6-10(23-2)18-14(17-8)24-3/h4-6H,1-3H3,(H,19,20,21).
What are the key properties of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide?
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide has a molecular weight of 380.81 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide is sourced from PubChem (CID 43994698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).