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

C22H21ClN4O2S2 — CID 75192377

IUPACN-(2-chlorophenyl)-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide
SMILESCc1nc(-c2ccccc2)sc1C1CC(=O)NC(SCC(=O)Nc2ccccc2Cl)N1
InChIInChI=1S/C22H21ClN4O2S2/c1-13-20(31-21(24-13)14-7-3-2-4-8-14)17-11-18(28)27-22(26-17)30-12-19(29)25-16-10-6-5-9-15(16)23/h2-10,17,22,26H,11-12H2,1H3,(H,25,29)(H,27,28)
InChIKeyCOSVAIPNGWJCBK-UHFFFAOYSA-N
MW473.02 g/mol
LogP4.58
Rot. Bonds6

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

N-(2-chlorophenyl)-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide (PubChem CID 75192377) has the molecular formula C22H21ClN4O2S2 and a molecular weight of 473.02 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide
PubChem CID75192377
Molecular FormulaC22H21ClN4O2S2
Molecular Weight473.02 g/mol
Exact Mass472.08
IUPAC NameN-(2-chlorophenyl)-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide
SMILESCc1nc(-c2ccccc2)sc1C1CC(=O)NC(SCC(=O)Nc2ccccc2Cl)N1
InChIInChI=1S/C22H21ClN4O2S2/c1-13-20(31-21(24-13)14-7-3-2-4-8-14)17-11-18(28)27-22(26-17)30-12-19(29)25-16-10-6-5-9-15(16)23/h2-10,17,22,26H,11-12H2,1H3,(H,25,29)(H,27,28)
InChIKeyCOSVAIPNGWJCBK-UHFFFAOYSA-N
XLogP4.58
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.02
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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-(2,5-difluorophenyl)-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide
CID 75192394
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
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
2-[[5-(benzenesulfonyl)-4-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide
CID 73453126
6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-2-sulfanyl-1,3-diazinan-4-one
CID 167997519
N-(2-chlorophenyl)-2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]acetamide
CID 2383602
N-(2-chlorophenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 8745943
N-(2-chlorophenyl)-2-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanylacetamide
CID 7393004
[2-(2-chloroanilino)-2-oxoethyl] 2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8837680
2-phenacylsulfanyl-6-phenyl-1,3-diazinan-4-one
CID 78208401
2-[[2-(2-chloroanilino)-2-oxoethyl]disulfanyl]-N-(2-chlorophenyl)acetamide
CID 71330084

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide?
The IUPAC name of 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) is N-(2-chlorophenyl)-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide is Cc1nc(-c2ccccc2)sc1C1CC(=O)NC(SCC(=O)Nc2ccccc2Cl)N1.
What is the InChIKey of N-(2-chlorophenyl)-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide?
The InChIKey is COSVAIPNGWJCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2S2/c1-13-20(31-21(24-13)14-7-3-2-4-8-14)17-11-18(28)27-22(26-17)30-12-19(29)25-16-10-6-5-9-15(16)23/h2-10,17,22,26H,11-12H2,1H3,(H,25,29)(H,27,28).
What are the key properties of N-(2-chlorophenyl)-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide?
N-(2-chlorophenyl)-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide has a molecular weight of 473.02 g/mol, XLogP of 4.58, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[[4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 75192377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).