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

C16H14N4O3S — CID 136666393

IUPACN-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCOc1ccc(-c2nc(CNC(=O)c3cc(=O)[nH]cn3)cs2)cc1
InChIInChI=1S/C16H14N4O3S/c1-23-12-4-2-10(3-5-12)16-20-11(8-24-16)7-17-15(22)13-6-14(21)19-9-18-13/h2-6,8-9H,7H2,1H3,(H,17,22)(H,18,19,21)
InChIKeyVZRCBMKZNCQBJJ-UHFFFAOYSA-N
MW342.38 g/mol
LogP1.83
Rot. Bonds5

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

N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 136666393) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID136666393
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC NameN-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCOc1ccc(-c2nc(CNC(=O)c3cc(=O)[nH]cn3)cs2)cc1
InChIInChI=1S/C16H14N4O3S/c1-23-12-4-2-10(3-5-12)16-20-11(8-24-16)7-17-15(22)13-6-14(21)19-9-18-13/h2-6,8-9H,7H2,1H3,(H,17,22)(H,18,19,21)
InChIKeyVZRCBMKZNCQBJJ-UHFFFAOYSA-N
XLogP1.83
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-trimethoxy-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 23613096
2-(4-methoxyphenyl)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 17164148
N-(4-methoxyphenyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137147299
N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 75375278
N-[(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137147431
N-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42656610
5-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 39868246
2-(2-methoxyphenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 23613092
2-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide
CID 86825779
(2S)-2-(4-fluorophenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 26819774
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 17398411
(2R)-2-(3,4-dimethylphenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 26819793

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide (CID 136666393) is N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide is COc1ccc(-c2nc(CNC(=O)c3cc(=O)[nH]cn3)cs2)cc1.
What is the InChIKey of N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is VZRCBMKZNCQBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S/c1-23-12-4-2-10(3-5-12)16-20-11(8-24-16)7-17-15(22)13-6-14(21)19-9-18-13/h2-6,8-9H,7H2,1H3,(H,17,22)(H,18,19,21).
What are the key properties of N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 342.38 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136666393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).