6-oxo-2-(phenoxymethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyrimidine-5-carboxamide

C18H18N4O3S — CID 72841018

IUPAC6-oxo-2-(phenoxymethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyrimidine-5-carboxamide
SMILESCCC(NC(=O)c1cnc(COc2ccccc2)[nH]c1=O)c1nccs1
InChIInChI=1S/C18H18N4O3S/c1-2-14(18-19-8-9-26-18)21-16(23)13-10-20-15(22-17(13)24)11-25-12-6-4-3-5-7-12/h3-10,14H,2,11H2,1H3,(H,21,23)(H,20,22,24)
InChIKeyQTTCBEDNJPNFQG-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.69
Rot. Bonds7

About 6-oxo-2-(phenoxymethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyrimidine-5-carboxamide

6-oxo-2-(phenoxymethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyrimidine-5-carboxamide (PubChem CID 72841018) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 6-oxo-2-(phenoxymethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-oxo-2-(phenoxymethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyrimidine-5-carboxamide
PubChem CID72841018
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name6-oxo-2-(phenoxymethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyrimidine-5-carboxamide
SMILESCCC(NC(=O)c1cnc(COc2ccccc2)[nH]c1=O)c1nccs1
InChIInChI=1S/C18H18N4O3S/c1-2-14(18-19-8-9-26-18)21-16(23)13-10-20-15(22-17(13)24)11-25-12-6-4-3-5-7-12/h3-10,14H,2,11H2,1H3,(H,21,23)(H,20,22,24)
InChIKeyQTTCBEDNJPNFQG-UHFFFAOYSA-N
XLogP2.69
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-oxo-2-(phenoxymethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-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

Related Compounds

6-methyl-2-[(4-methylphenoxy)methyl]-1-(2-morpholin-4-ylethyl)-4-oxo-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 28101623
N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carboxamide
CID 97133272
2-[(4-fluorophenoxy)methyl]-4-hydroxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-5-carboxamide
CID 70705587
1-[1-(2-Fluorophenoxy)propan-2-yl]-3-[1-(1,3-thiazol-2-yl)propyl]urea
CID 72006364
1-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-3-[(1S)-1-(1,3-thiazol-2-yl)propyl]urea
CID 97565942
1-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-3-[(1R)-1-(1,3-thiazol-2-yl)propyl]urea
CID 97565943
1-[(2R)-1-(2-fluorophenoxy)propan-2-yl]-3-[(1S)-1-(1,3-thiazol-2-yl)propyl]urea
CID 97565944
1-[(2R)-1-(2-fluorophenoxy)propan-2-yl]-3-[(1R)-1-(1,3-thiazol-2-yl)propyl]urea
CID 97565945
2-[1-[2-(2-fluorophenoxy)acetyl]piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one
CID 136681975
2-[1-[(2R)-2-(4-fluorophenoxy)propanoyl]piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one
CID 136775006
2-[1-[(2S)-2-(4-fluorophenoxy)propanoyl]piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one
CID 136775007
2-[1-[(2R)-2-(3-fluorophenoxy)propanoyl]piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one
CID 136775008

Frequently Asked Questions

What is the IUPAC name of 6-oxo-2-(phenoxymethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyrimidine-5-carboxamide?
The IUPAC name of 6-oxo-2-(phenoxymethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyrimidine-5-carboxamide (CID 72841018) is 6-oxo-2-(phenoxymethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 6-oxo-2-(phenoxymethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 6-oxo-2-(phenoxymethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyrimidine-5-carboxamide is CCC(NC(=O)c1cnc(COc2ccccc2)[nH]c1=O)c1nccs1.
What is the InChIKey of 6-oxo-2-(phenoxymethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyrimidine-5-carboxamide?
The InChIKey is QTTCBEDNJPNFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-2-14(18-19-8-9-26-18)21-16(23)13-10-20-15(22-17(13)24)11-25-12-6-4-3-5-7-12/h3-10,14H,2,11H2,1H3,(H,21,23)(H,20,22,24).
What are the key properties of 6-oxo-2-(phenoxymethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyrimidine-5-carboxamide?
6-oxo-2-(phenoxymethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyrimidine-5-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-2-(phenoxymethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 72841018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).