N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C20H17N5OS2 — CID 1006911

IUPACN-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1sc(NC(=O)CSc2ncn(-c3ccccc3)n2)nc1-c1ccccc1
InChIInChI=1S/C20H17N5OS2/c1-14-18(15-8-4-2-5-9-15)23-20(28-14)22-17(26)12-27-19-21-13-25(24-19)16-10-6-3-7-11-16/h2-11,13H,12H2,1H3,(H,22,23,26)
InChIKeyGEVJAAAZBRRKTD-UHFFFAOYSA-N
MW407.52 g/mol
LogP4.43
Rot. Bonds6

About N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 1006911) has the molecular formula C20H17N5OS2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID1006911
Molecular FormulaC20H17N5OS2
Molecular Weight407.52 g/mol
Exact Mass407.09
IUPAC NameN-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1sc(NC(=O)CSc2ncn(-c3ccccc3)n2)nc1-c1ccccc1
InChIInChI=1S/C20H17N5OS2/c1-14-18(15-8-4-2-5-9-15)23-20(28-14)22-17(26)12-27-19-21-13-25(24-19)16-10-6-3-7-11-16/h2-11,13H,12H2,1H3,(H,22,23,26)
InChIKeyGEVJAAAZBRRKTD-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

N-(4'-Methyl-2-(p-tolylamino)-[4,5'-bithiazol]-2'-yl)acetamide
CID 2898142
2-(4-Methyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4-methyl-thiazol-2-yl)-acetamide
CID 645763
2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 861927
2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 1155032
2-[(1-phenyl-1H-tetrazol-5-yl)thio]-N-(5-phenyl-1,2,4-thiadiazol-3-yl)acetamide
CID 1589754
N-(4'-Methyl-2-m-tolylamino-[4,5']bithiazolyl-2'-yl)-acetamide
CID 3112395
2-(4-Ethyl-5-pyridin-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4-methyl-thiazol-2-yl)-acetamide
CID 648381
2-(4-Butyl-5-pyridin-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4-methyl-thiazol-2-yl)-acetamide
CID 648616
N-(4-Methyl-thiazol-2-yl)-2-(4-propyl-5-pyridin-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 650828
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-{[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 653401
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

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 1006911) is N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cc1sc(NC(=O)CSc2ncn(-c3ccccc3)n2)nc1-c1ccccc1.
What is the InChIKey of N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is GEVJAAAZBRRKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS2/c1-14-18(15-8-4-2-5-9-15)23-20(28-14)22-17(26)12-27-19-21-13-25(24-19)16-10-6-3-7-11-16/h2-11,13H,12H2,1H3,(H,22,23,26).
What are the key properties of N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(5-methyl-4-phenyl-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-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 1006911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).