N'-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide

C21H18N6O4S — CID 30599206

IUPACN'-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C21H18N6O4S/c1-11-15(32-19(23-11)12-7-5-4-6-8-12)18(29)25-24-17(28)13-9-14-16(22-10-13)26(2)21(31)27(3)20(14)30/h4-10H,1-3H3,(H,24,28)(H,25,29)
InChIKeyNZIVPKLDTDVJRQ-UHFFFAOYSA-N
MW450.48 g/mol
LogP1.14
Rot. Bonds3

About N'-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide

N'-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide (PubChem CID 30599206) has the molecular formula C21H18N6O4S and a molecular weight of 450.48 g/mol. Its IUPAC name is N'-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
PubChem CID30599206
Molecular FormulaC21H18N6O4S
Molecular Weight450.48 g/mol
Exact Mass450.11
IUPAC NameN'-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C21H18N6O4S/c1-11-15(32-19(23-11)12-7-5-4-6-8-12)18(29)25-24-17(28)13-9-14-16(22-10-13)26(2)21(31)27(3)20(14)30/h4-10H,1-3H3,(H,24,28)(H,25,29)
InChIKeyNZIVPKLDTDVJRQ-UHFFFAOYSA-N
XLogP1.14
TPSA127.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.48
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55457394
N'-(4-bromobenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 25439398
N'-(6-methoxypyridine-3-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 24531640
N'-[4-(dimethylamino)benzoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 78784342
4-methyl-2-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,3-thiazole-5-carbohydrazide
CID 29491918
N-[2-[[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide
CID 30544350
4-methyl-N'-(1-methylindole-3-carbonyl)-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 9160995
N'-[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 35411866
1,3-dimethyl-2,4-dioxo-N-propan-2-ylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 46517834
N'-(4-bromo-1-methylpyrrole-2-carbonyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbohydrazide
CID 30599169
N'-(2,3-dihydro-1H-indene-5-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 9011381
4-methyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 25439380

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of N'-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide (CID 30599206) is N'-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for N'-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for N'-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide is Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of N'-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide?
The InChIKey is NZIVPKLDTDVJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O4S/c1-11-15(32-19(23-11)12-7-5-4-6-8-12)18(29)25-24-17(28)13-9-14-16(22-10-13)26(2)21(31)27(3)20(14)30/h4-10H,1-3H3,(H,24,28)(H,25,29).
What are the key properties of N'-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide?
N'-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide has a molecular weight of 450.48 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 30599206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).