N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

C15H12N4O3S — CID 21205014

IUPACN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3cc(=O)[nH]c(=O)[nH]3)n2)cc1
InChIInChI=1S/C15H12N4O3S/c1-8-2-4-9(5-3-8)11-7-23-15(17-11)19-13(21)10-6-12(20)18-14(22)16-10/h2-7H,1H3,(H,17,19,21)(H2,16,18,20,22)
InChIKeyBCRZTOOWANJGSF-UHFFFAOYSA-N
MW328.35 g/mol
LogP1.75
Rot. Bonds3

About N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 21205014) has the molecular formula C15H12N4O3S and a molecular weight of 328.35 g/mol. Its IUPAC name is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID21205014
Molecular FormulaC15H12N4O3S
Molecular Weight328.35 g/mol
Exact Mass328.06
IUPAC NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3cc(=O)[nH]c(=O)[nH]3)n2)cc1
InChIInChI=1S/C15H12N4O3S/c1-8-2-4-9(5-3-8)11-7-23-15(17-11)19-13(21)10-6-12(20)18-14(22)16-10/h2-7H,1H3,(H,17,19,21)(H2,16,18,20,22)
InChIKeyBCRZTOOWANJGSF-UHFFFAOYSA-N
XLogP1.75
TPSA107.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 16953644
3,5-dichloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2562898
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride
CID 163326085
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 78845131
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 16619036
N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 721661
2,5-dimethoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 16848687
ethane;N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 153338927
2,5-difluoro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46667765
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 135723303
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 153338934
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 87405721

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 21205014) is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is Cc1ccc(-c2csc(NC(=O)c3cc(=O)[nH]c(=O)[nH]3)n2)cc1.
What is the InChIKey of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is BCRZTOOWANJGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3S/c1-8-2-4-9(5-3-8)11-7-23-15(17-11)19-13(21)10-6-12(20)18-14(22)16-10/h2-7H,1H3,(H,17,19,21)(H2,16,18,20,22).
What are the key properties of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 328.35 g/mol, XLogP of 1.75, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 21205014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).