N-(4-ethylphenyl)-2-[[4-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide

C25H28N4O3S2 — CID 75192412

IUPACN-(4-ethylphenyl)-2-[[4-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide
SMILESCCc1ccc(NC(=O)CSC2NC(=O)CC(c3sc(-c4ccc(OC)cc4)nc3C)N2)cc1
InChIInChI=1S/C25H28N4O3S2/c1-4-16-5-9-18(10-6-16)27-22(31)14-33-25-28-20(13-21(30)29-25)23-15(2)26-24(34-23)17-7-11-19(32-3)12-8-17/h5-12,20,25,28H,4,13-14H2,1-3H3,(H,27,31)(H,29,30)
InChIKeyGJTBLVJGCPOMGE-UHFFFAOYSA-N
MW496.66 g/mol
LogP4.50
Rot. Bonds8

About N-(4-ethylphenyl)-2-[[4-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide

N-(4-ethylphenyl)-2-[[4-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide (PubChem CID 75192412) has the molecular formula C25H28N4O3S2 and a molecular weight of 496.66 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[[4-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[[4-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide
PubChem CID75192412
Molecular FormulaC25H28N4O3S2
Molecular Weight496.66 g/mol
Exact Mass496.16
IUPAC NameN-(4-ethylphenyl)-2-[[4-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide
SMILESCCc1ccc(NC(=O)CSC2NC(=O)CC(c3sc(-c4ccc(OC)cc4)nc3C)N2)cc1
InChIInChI=1S/C25H28N4O3S2/c1-4-16-5-9-18(10-6-16)27-22(31)14-33-25-28-20(13-21(30)29-25)23-15(2)26-24(34-23)17-7-11-19(32-3)12-8-17/h5-12,20,25,28H,4,13-14H2,1-3H3,(H,27,31)(H,29,30)
InChIKeyGJTBLVJGCPOMGE-UHFFFAOYSA-N
XLogP4.50
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.66
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-chlorophenyl)-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide
CID 75192377
N-(2-fluorophenyl)-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide
CID 75192388
N-[(4-fluorophenyl)methyl]-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide
CID 75192369
6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-2-sulfanyl-1,3-diazinan-4-one
CID 167997519
2-[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 85465573
N-(4-methoxyphenyl)-2-[(5-oxo-1,2,4-triazinan-3-yl)sulfanyl]acetamide
CID 78305586
N-(4-ethylphenyl)-2-[[2-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]sulfanyl]acetamide
CID 3137200
N-[(4-methoxyphenyl)methyl]-2-[(4-methyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide
CID 78365672
N-(4-ethylphenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3600264
2-[(4-methoxy-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-naphthalen-2-ylacetamide
CID 78411748
2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-(4-methoxyphenyl)acetamide
CID 110329363
N-(4-ethylphenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109005223

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[[4-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[[4-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide (CID 75192412) is N-(4-ethylphenyl)-2-[[4-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[[4-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[[4-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide is CCc1ccc(NC(=O)CSC2NC(=O)CC(c3sc(-c4ccc(OC)cc4)nc3C)N2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[[4-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide?
The InChIKey is GJTBLVJGCPOMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3S2/c1-4-16-5-9-18(10-6-16)27-22(31)14-33-25-28-20(13-21(30)29-25)23-15(2)26-24(34-23)17-7-11-19(32-3)12-8-17/h5-12,20,25,28H,4,13-14H2,1-3H3,(H,27,31)(H,29,30).
What are the key properties of N-(4-ethylphenyl)-2-[[4-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide?
N-(4-ethylphenyl)-2-[[4-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide has a molecular weight of 496.66 g/mol, XLogP of 4.50, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[[4-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 75192412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).