N-[4-amino-6-oxo-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]-4-ethoxybenzamide

C18H18N6O4S2 — CID 135705861

IUPACN-[4-amino-6-oxo-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2c(N)nc(SCC(=O)Nc3nccs3)[nH]c2=O)cc1
InChIInChI=1S/C18H18N6O4S2/c1-2-28-11-5-3-10(4-6-11)15(26)22-13-14(19)23-18(24-16(13)27)30-9-12(25)21-17-20-7-8-29-17/h3-8H,2,9H2,1H3,(H,22,26)(H,20,21,25)(H3,19,23,24,27)
InChIKeyFSPGJFPQLYCBIJ-UHFFFAOYSA-N
MW446.51 g/mol
LogP2.19
Rot. Bonds8

About N-[4-amino-6-oxo-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]-4-ethoxybenzamide

N-[4-amino-6-oxo-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]-4-ethoxybenzamide (PubChem CID 135705861) has the molecular formula C18H18N6O4S2 and a molecular weight of 446.51 g/mol. Its IUPAC name is N-[4-amino-6-oxo-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[4-amino-6-oxo-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]-4-ethoxybenzamide
PubChem CID135705861
Molecular FormulaC18H18N6O4S2
Molecular Weight446.51 g/mol
Exact Mass446.08
IUPAC NameN-[4-amino-6-oxo-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2c(N)nc(SCC(=O)Nc3nccs3)[nH]c2=O)cc1
InChIInChI=1S/C18H18N6O4S2/c1-2-28-11-5-3-10(4-6-11)15(26)22-13-14(19)23-18(24-16(13)27)30-9-12(25)21-17-20-7-8-29-17/h3-8H,2,9H2,1H3,(H,22,26)(H,20,21,25)(H3,19,23,24,27)
InChIKeyFSPGJFPQLYCBIJ-UHFFFAOYSA-N
XLogP2.19
TPSA152.09 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze N-[4-amino-6-oxo-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]-4-ethoxybenzamide 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

4-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 721308
2-(4-ethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 2514833
4-ethoxy-N-[(2S)-3-methyl-1-oxo-1-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]butan-2-yl]benzamide
CID 2531523
N-(5-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide
CID 4527908
3-ethoxy-N-(2-thiazolyl)benzamide
CID 792393
3,4-dimethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 721807
N-[(5S)-5-[[(2R,3S)-3-[formyl(hydroxy)amino]-2-(2-methylpropyl)hexanoyl]amino]-6-oxo-6-(1,3-thiazol-2-ylamino)hexyl]-3-methoxybenzamide
CID 44531136
2-ethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 652520
4-Ethoxy-N-(1,3-thiazol-2-YL)benzamide
CID 803176
N-{[(Furan-2-ylmethyl)-carbamoyl]-methyl}-N-(4-methoxy-benzyl)-N'-thiazol-2-yl-succinamide
CID 651341
N-[(4-Fluoro-phenyl)-(2-methoxy-ethylcarbamoyl)-methyl]-N-furan-2-ylmethyl-N'-thiazol-2-yl-succinamide
CID 656031
N-(4-Methoxy-benzyl)-N-[(4-methoxy-benzylcarbamoyl)-methyl]-N'-thiazol-2-yl-succinamide
CID 3205335

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-6-oxo-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]-4-ethoxybenzamide?
The IUPAC name of N-[4-amino-6-oxo-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]-4-ethoxybenzamide (CID 135705861) is N-[4-amino-6-oxo-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]-4-ethoxybenzamide.
What is the SMILES notation for N-[4-amino-6-oxo-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]-4-ethoxybenzamide?
The canonical SMILES for N-[4-amino-6-oxo-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2c(N)nc(SCC(=O)Nc3nccs3)[nH]c2=O)cc1.
What is the InChIKey of N-[4-amino-6-oxo-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]-4-ethoxybenzamide?
The InChIKey is FSPGJFPQLYCBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O4S2/c1-2-28-11-5-3-10(4-6-11)15(26)22-13-14(19)23-18(24-16(13)27)30-9-12(25)21-17-20-7-8-29-17/h3-8H,2,9H2,1H3,(H,22,26)(H,20,21,25)(H3,19,23,24,27).
What are the key properties of N-[4-amino-6-oxo-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]-4-ethoxybenzamide?
N-[4-amino-6-oxo-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]-4-ethoxybenzamide has a molecular weight of 446.51 g/mol, XLogP of 2.19, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-6-oxo-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]-4-ethoxybenzamide is sourced from PubChem (CID 135705861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).