N-[4-(1,3-benzothiazol-2-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

C23H17N5O3S — CID 30840395

IUPACN-[4-(1,3-benzothiazol-2-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCn1c(=O)c2ccc(C(=O)Nc3ccc(-c4nc5ccccc5s4)cc3)nc2n(C)c1=O
InChIInChI=1S/C23H17N5O3S/c1-27-19-15(22(30)28(2)23(27)31)11-12-17(25-19)20(29)24-14-9-7-13(8-10-14)21-26-16-5-3-4-6-18(16)32-21/h3-12H,1-2H3,(H,24,29)
InChIKeyUJTNIFJSUDILFS-UHFFFAOYSA-N
MW443.49 g/mol
LogP3.16
Rot. Bonds3

About N-[4-(1,3-benzothiazol-2-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

N-[4-(1,3-benzothiazol-2-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 30840395) has the molecular formula C23H17N5O3S and a molecular weight of 443.49 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID30840395
Molecular FormulaC23H17N5O3S
Molecular Weight443.49 g/mol
Exact Mass443.11
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCn1c(=O)c2ccc(C(=O)Nc3ccc(-c4nc5ccccc5s4)cc3)nc2n(C)c1=O
InChIInChI=1S/C23H17N5O3S/c1-27-19-15(22(30)28(2)23(27)31)11-12-17(25-19)20(29)24-14-9-7-13(8-10-14)21-26-16-5-3-4-6-18(16)32-21/h3-12H,1-2H3,(H,24,29)
InChIKeyUJTNIFJSUDILFS-UHFFFAOYSA-N
XLogP3.16
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-methylpyrazole-3-carboxamide
CID 25284529
1,3-dimethyl-2,4-dioxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrido[2,3-d]pyrimidine-7-carboxamide
CID 39628674
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(dimethylamino)benzamide
CID 23996486
N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methylbenzamide
CID 780722
N-(3-bromophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55577042
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55582809
1,3-dimethyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 30823859
N-tert-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 37132946
N-[4-(1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide
CID 960347
N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-iodobenzamide
CID 2266955
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-methylprop-2-enamide
CID 9349652
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-ethoxybenzamide
CID 1050063

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (CID 30840395) is N-[4-(1,3-benzothiazol-2-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is Cn1c(=O)c2ccc(C(=O)Nc3ccc(-c4nc5ccccc5s4)cc3)nc2n(C)c1=O.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is UJTNIFJSUDILFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O3S/c1-27-19-15(22(30)28(2)23(27)31)11-12-17(25-19)20(29)24-14-9-7-13(8-10-14)21-26-16-5-3-4-6-18(16)32-21/h3-12H,1-2H3,(H,24,29).
What are the key properties of N-[4-(1,3-benzothiazol-2-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
N-[4-(1,3-benzothiazol-2-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 443.49 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 30840395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).