N-(6-methoxy-1,3-benzothiazol-2-yl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

C17H14N4O4S — CID 35997703

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3c(C)oc4ncn(C)c(=O)c34)sc2c1
InChIInChI=1S/C17H14N4O4S/c1-8-12(13-15(25-8)18-7-21(2)16(13)23)14(22)20-17-19-10-5-4-9(24-3)6-11(10)26-17/h4-7H,1-3H3,(H,19,20,22)
InChIKeyJRBUIPPJFYQXDX-UHFFFAOYSA-N
MW370.39 g/mol
LogP2.71
Rot. Bonds3

About N-(6-methoxy-1,3-benzothiazol-2-yl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (PubChem CID 35997703) has the molecular formula C17H14N4O4S and a molecular weight of 370.39 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
PubChem CID35997703
Molecular FormulaC17H14N4O4S
Molecular Weight370.39 g/mol
Exact Mass370.07
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3c(C)oc4ncn(C)c(=O)c34)sc2c1
InChIInChI=1S/C17H14N4O4S/c1-8-12(13-15(25-8)18-7-21(2)16(13)23)14(22)20-17-19-10-5-4-9(24-3)6-11(10)26-17/h4-7H,1-3H3,(H,19,20,22)
InChIKeyJRBUIPPJFYQXDX-UHFFFAOYSA-N
XLogP2.71
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(6-methoxy-1,3-benzothiazol-2-yl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803346
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-oxazole-5-carboxamide
CID 110702338
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
2,6-difluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 741712
N-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691334
5-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-1,2-oxazole-4-carboxamide
CID 112759271
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)benzamide
CID 3515602
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 16879597
N-(6-methoxy-1,3-benzothiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 18147913
N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 24631901
2-bromo-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 17244835
4-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylpyrazole-5-carboxamide
CID 65355459

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (CID 35997703) is N-(6-methoxy-1,3-benzothiazol-2-yl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is COc1ccc2nc(NC(=O)c3c(C)oc4ncn(C)c(=O)c34)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is JRBUIPPJFYQXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O4S/c1-8-12(13-15(25-8)18-7-21(2)16(13)23)14(22)20-17-19-10-5-4-9(24-3)6-11(10)26-17/h4-7H,1-3H3,(H,19,20,22).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 370.39 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 35997703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).