N-(cyclopropylcarbamoyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C10H15N5O2S — CID 9373190

IUPACN-(cyclopropylcarbamoyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NC(=O)NC2CC2)n1C
InChIInChI=1S/C10H15N5O2S/c1-6-13-14-10(15(6)2)18-5-8(16)12-9(17)11-7-3-4-7/h7H,3-5H2,1-2H3,(H2,11,12,16,17)
InChIKeyXHMURAHGWJEXLE-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.20
Rot. Bonds4

About N-(cyclopropylcarbamoyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(cyclopropylcarbamoyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 9373190) has the molecular formula C10H15N5O2S and a molecular weight of 269.33 g/mol. Its IUPAC name is N-(cyclopropylcarbamoyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylcarbamoyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID9373190
Molecular FormulaC10H15N5O2S
Molecular Weight269.33 g/mol
Exact Mass269.09
IUPAC NameN-(cyclopropylcarbamoyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NC(=O)NC2CC2)n1C
InChIInChI=1S/C10H15N5O2S/c1-6-13-14-10(15(6)2)18-5-8(16)12-9(17)11-7-3-4-7/h7H,3-5H2,1-2H3,(H2,11,12,16,17)
InChIKeyXHMURAHGWJEXLE-UHFFFAOYSA-N
XLogP0.20
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopropylcarbamoyl)acetamide
CID 60733718
2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopropylcarbamoyl)acetamide
CID 7169594
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexylcarbamoyl)acetamide
CID 7845143
N-(cyclopropylcarbamoyl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7870006
ethyl 2-[5-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]acetate
CID 9387498
N-(cyclohexylcarbamoyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2639765
2-[[4-amino-5-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopentylcarbamoyl)acetamide
CID 4845048
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
CID 1451146
N-(cyclohexylcarbamoyl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7516156
2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopropylcarbamoyl)acetamide
CID 40552030
N-cyclopropyl-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 9377646
N-(cyclohexylcarbamoyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 40529241

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylcarbamoyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(cyclopropylcarbamoyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 9373190) is N-(cyclopropylcarbamoyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(cyclopropylcarbamoyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(cyclopropylcarbamoyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cc1nnc(SCC(=O)NC(=O)NC2CC2)n1C.
What is the InChIKey of N-(cyclopropylcarbamoyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is XHMURAHGWJEXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S/c1-6-13-14-10(15(6)2)18-5-8(16)12-9(17)11-7-3-4-7/h7H,3-5H2,1-2H3,(H2,11,12,16,17).
What are the key properties of N-(cyclopropylcarbamoyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(cyclopropylcarbamoyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 269.33 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylcarbamoyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 9373190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).