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

C17H19N5OS2 — CID 46805241

IUPACN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1nc(-c2cccc(NC(=O)CSc3nncn3C(C)C)c2)cs1
InChIInChI=1S/C17H19N5OS2/c1-11(2)22-10-18-21-17(22)25-9-16(23)20-14-6-4-5-13(7-14)15-8-24-12(3)19-15/h4-8,10-11H,9H2,1-3H3,(H,20,23)
InChIKeyAUSHHFQQQFBNIJ-UHFFFAOYSA-N
MW373.51 g/mol
LogP4.02
Rot. Bonds6

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

N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 46805241) has the molecular formula C17H19N5OS2 and a molecular weight of 373.51 g/mol. Its IUPAC name is N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID46805241
Molecular FormulaC17H19N5OS2
Molecular Weight373.51 g/mol
Exact Mass373.10
IUPAC NameN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1nc(-c2cccc(NC(=O)CSc3nncn3C(C)C)c2)cs1
InChIInChI=1S/C17H19N5OS2/c1-11(2)22-10-18-21-17(22)25-9-16(23)20-14-6-4-5-13(7-14)15-8-24-12(3)19-15/h4-8,10-11H,9H2,1-3H3,(H,20,23)
InChIKeyAUSHHFQQQFBNIJ-UHFFFAOYSA-N
XLogP4.02
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.51
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methylphenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7675745
2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 17457394
2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 27789109
N-(3-ethynylphenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 46569372
2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 42038302
3-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 54924319
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 9438736
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994
N-(4-propan-2-ylphenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7675740
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 78862634
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 18171324
N-dibenzofuran-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8569408

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 46805241) is N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cc1nc(-c2cccc(NC(=O)CSc3nncn3C(C)C)c2)cs1.
What is the InChIKey of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is AUSHHFQQQFBNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS2/c1-11(2)22-10-18-21-17(22)25-9-16(23)20-14-6-4-5-13(7-14)15-8-24-12(3)19-15/h4-8,10-11H,9H2,1-3H3,(H,20,23).
What are the key properties of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 373.51 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 46805241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).