N-[(2,4-dichlorophenyl)methyl]-2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide

C16H14Cl2N4O2S — CID 90392492

IUPACN-[(2,4-dichlorophenyl)methyl]-2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCC1NC(c2ncc(C(=O)NCc3ccc(Cl)cc3Cl)c(=O)[nH]2)=CS1
InChIInChI=1S/C16H14Cl2N4O2S/c1-8-21-13(7-25-8)14-19-6-11(16(24)22-14)15(23)20-5-9-2-3-10(17)4-12(9)18/h2-4,6-8,21H,5H2,1H3,(H,20,23)(H,19,22,24)
InChIKeyXKJOUPKMURDRFP-UHFFFAOYSA-N
MW397.29 g/mol
LogP2.99
Rot. Bonds4

About N-[(2,4-dichlorophenyl)methyl]-2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide

N-[(2,4-dichlorophenyl)methyl]-2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 90392492) has the molecular formula C16H14Cl2N4O2S and a molecular weight of 397.29 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID90392492
Molecular FormulaC16H14Cl2N4O2S
Molecular Weight397.29 g/mol
Exact Mass396.02
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCC1NC(c2ncc(C(=O)NCc3ccc(Cl)cc3Cl)c(=O)[nH]2)=CS1
InChIInChI=1S/C16H14Cl2N4O2S/c1-8-21-13(7-25-8)14-19-6-11(16(24)22-14)15(23)20-5-9-2-3-10(17)4-12(9)18/h2-4,6-8,21H,5H2,1H3,(H,20,23)(H,19,22,24)
InChIKeyXKJOUPKMURDRFP-UHFFFAOYSA-N
XLogP2.99
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.29
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-2,4,5-trimethylbenzamide
CID 100708024
5-chloro-N-[(2,4-dichlorophenyl)methyl]pyrazine-2-carboxamide
CID 71655570
N-[(2,4-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137147414
N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylbenzamide
CID 2446682
3-chloro-N-[(2,4-dichlorophenyl)methyl]pyridazine-4-carboxamide
CID 22992257
N-[(2,4-dichlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)-4-(1-phenylcyclopentyl)pyrimidine-5-carboxamide
CID 11692158
2-(4-chlorophenyl)-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 108786175
trans-(1S,2R)-2-[[[2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 108809612
N-[(2,4-dichlorophenyl)methyl]-2-(methanesulfonamido)benzamide
CID 31321210
N-[(2,4-dichlorophenyl)methyl]-4-[1-(4-fluorophenyl)cyclopentyl]-2-[(4-methylcyclohexyl)amino]pyrimidine-5-carboxamide
CID 91291757
N-(3-butoxypropyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108786174
N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-methylbenzamide
CID 9268844

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide (CID 90392492) is N-[(2,4-dichlorophenyl)methyl]-2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide is CC1NC(c2ncc(C(=O)NCc3ccc(Cl)cc3Cl)c(=O)[nH]2)=CS1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is XKJOUPKMURDRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O2S/c1-8-21-13(7-25-8)14-19-6-11(16(24)22-14)15(23)20-5-9-2-3-10(17)4-12(9)18/h2-4,6-8,21H,5H2,1H3,(H,20,23)(H,19,22,24).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 397.29 g/mol, XLogP of 2.99, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 90392492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).