N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C20H17N5OS2 — CID 2202285

IUPACN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1ccc(-c2csc(NC(=O)CSc3ncn(-c4ccccc4)n3)n2)cc1
InChIInChI=1S/C20H17N5OS2/c1-14-7-9-15(10-8-14)17-11-27-20(22-17)23-18(26)12-28-19-21-13-25(24-19)16-5-3-2-4-6-16/h2-11,13H,12H2,1H3,(H,22,23,26)
InChIKeyADAMSUNAJBIMOO-UHFFFAOYSA-N
MW407.52 g/mol
LogP4.43
Rot. Bonds6

About N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 2202285) has the molecular formula C20H17N5OS2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID2202285
Molecular FormulaC20H17N5OS2
Molecular Weight407.52 g/mol
Exact Mass407.09
IUPAC NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1ccc(-c2csc(NC(=O)CSc3ncn(-c4ccccc4)n3)n2)cc1
InChIInChI=1S/C20H17N5OS2/c1-14-7-9-15(10-8-14)17-11-27-20(22-17)23-18(26)12-28-19-21-13-25(24-19)16-5-3-2-4-6-16/h2-11,13H,12H2,1H3,(H,22,23,26)
InChIKeyADAMSUNAJBIMOO-UHFFFAOYSA-N
XLogP4.43
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 861927
2-(4-Methyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4,5,6,7-tetrahydro-benzothiazol-2-yl)-acetamide
CID 647429
2-[5-(4,6-Dimethyl-pyrimidin-2-ylsulfanylmethyl)-4-ethyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(4-phenyl-thiazol-2-yl)-acetamide
CID 651614
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-phenyl-2-thiazolyl)acetamide
CID 652564
2-(4-Ethyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4,5,6,7-tetrahydro-benzothiazol-2-yl)-acetamide
CID 653847
2-[[5-(4-methylphenyl)-3-thiazolo[2,3-c][1,2,4]triazolyl]thio]-N-(6-methyl-2-pyridinyl)acetamide
CID 655526
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[(1-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1006911
N-Benzyl-2-{4-ethyl-5-[(4-phenyl-thiazol-2-ylamino)-methyl]-4H-[1,2,4]triazol-3-ylsulfanyl}-acetamide
CID 1440557
2-[1-(3,5-Dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-[4-(4-fluoro-phenyl)-thiazol-2-yl]-acetamide
CID 1449684
N-[4-(4-Chloro-phenyl)-thiazol-2-yl]-2-[1-(3,5-dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetamide
CID 1449685
N-(4-methyl-1,3-thiazol-2-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 2082426
4-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 2117094

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 2202285) is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cc1ccc(-c2csc(NC(=O)CSc3ncn(-c4ccccc4)n3)n2)cc1.
What is the InChIKey of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is ADAMSUNAJBIMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS2/c1-14-7-9-15(10-8-14)17-11-27-20(22-17)23-18(26)12-28-19-21-13-25(24-19)16-5-3-2-4-6-16/h2-11,13H,12H2,1H3,(H,22,23,26).
What are the key properties of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 407.52 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 2202285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).