3-[(2-chlorophenyl)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

C17H15ClN4O3S — CID 121027203

IUPAC3-[(2-chlorophenyl)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCc1nc(NC(=O)c2c[nH]c(=O)n(Cc3ccccc3Cl)c2=O)sc1C
InChIInChI=1S/C17H15ClN4O3S/c1-9-10(2)26-16(20-9)21-14(23)12-7-19-17(25)22(15(12)24)8-11-5-3-4-6-13(11)18/h3-7H,8H2,1-2H3,(H,19,25)(H,20,21,23)
InChIKeyZDYYLOYEZYVNED-UHFFFAOYSA-N
MW390.85 g/mol
LogP2.56
Rot. Bonds4

About 3-[(2-chlorophenyl)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

3-[(2-chlorophenyl)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 121027203) has the molecular formula C17H15ClN4O3S and a molecular weight of 390.85 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID121027203
Molecular FormulaC17H15ClN4O3S
Molecular Weight390.85 g/mol
Exact Mass390.06
IUPAC Name3-[(2-chlorophenyl)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCc1nc(NC(=O)c2c[nH]c(=O)n(Cc3ccccc3Cl)c2=O)sc1C
InChIInChI=1S/C17H15ClN4O3S/c1-9-10(2)26-16(20-9)21-14(23)12-7-19-17(25)22(15(12)24)8-11-5-3-4-6-13(11)18/h3-7H,8H2,1-2H3,(H,19,25)(H,20,21,23)
InChIKeyZDYYLOYEZYVNED-UHFFFAOYSA-N
XLogP2.56
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(2-chlorophenyl)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 121027203) is 3-[(2-chlorophenyl)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is Cc1nc(NC(=O)c2c[nH]c(=O)n(Cc3ccccc3Cl)c2=O)sc1C.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is ZDYYLOYEZYVNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3S/c1-9-10(2)26-16(20-9)21-14(23)12-7-19-17(25)22(15(12)24)8-11-5-3-4-6-13(11)18/h3-7H,8H2,1-2H3,(H,19,25)(H,20,21,23).
What are the key properties of 3-[(2-chlorophenyl)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
3-[(2-chlorophenyl)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 390.85 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 121027203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).