N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide

C16H15N5O4S — CID 9166050

IUPACN-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C16H15N5O4S/c22-13-8-11(18-15(24)20-13)14(23)17-9-1-2-10-12(7-9)26-16(19-10)21-3-5-25-6-4-21/h1-2,7-8H,3-6H2,(H,17,23)(H2,18,20,22,24)
InChIKeyCWDYQHLHXRIZDS-UHFFFAOYSA-N
MW373.39 g/mol
LogP0.76
Rot. Bonds3

About N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 9166050) has the molecular formula C16H15N5O4S and a molecular weight of 373.39 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID9166050
Molecular FormulaC16H15N5O4S
Molecular Weight373.39 g/mol
Exact Mass373.08
IUPAC NameN-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C16H15N5O4S/c22-13-8-11(18-15(24)20-13)14(23)17-9-1-2-10-12(7-9)26-16(19-10)21-3-5-25-6-4-21/h1-2,7-8H,3-6H2,(H,17,23)(H2,18,20,22,24)
InChIKeyCWDYQHLHXRIZDS-UHFFFAOYSA-N
XLogP0.76
TPSA120.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)furan-3-carboxamide
CID 27021882
2,5-dichloro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-3-carboxamide
CID 37040838
1,3,5-trimethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)pyrazole-4-carboxamide
CID 99172414
4-acetyl-3,5-dimethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1H-pyrrole-2-carboxamide
CID 9362111
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 9405180
3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 39761645
1-amino-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 119833426
4-chloro-2-fluoro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
CID 25499411
2,4,5-trimethoxy-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)benzamide
CID 17493258
trans-(1R,2R)-2-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 37040801
6-morpholin-4-yl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)pyridine-3-carboxamide
CID 24609066
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide
CID 24576130

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 9166050) is N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is CWDYQHLHXRIZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O4S/c22-13-8-11(18-15(24)20-13)14(23)17-9-1-2-10-12(7-9)26-16(19-10)21-3-5-25-6-4-21/h1-2,7-8H,3-6H2,(H,17,23)(H2,18,20,22,24).
What are the key properties of N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 373.39 g/mol, XLogP of 0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 9166050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).