2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide

C10H18N6O2S — CID 63090802

IUPAC2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CSc1nnc(N)n1C(C)C
InChIInChI=1S/C10H18N6O2S/c1-4-12-9(18)13-7(17)5-19-10-15-14-8(11)16(10)6(2)3/h6H,4-5H2,1-3H3,(H2,11,14)(H2,12,13,17,18)
InChIKeyFUEPCAHGJHGICI-UHFFFAOYSA-N
MW286.36 g/mol
LogP0.38
Rot. Bonds5

About 2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide

2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide (PubChem CID 63090802) has the molecular formula C10H18N6O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide
PubChem CID63090802
Molecular FormulaC10H18N6O2S
Molecular Weight286.36 g/mol
Exact Mass286.12
IUPAC Name2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CSc1nnc(N)n1C(C)C
InChIInChI=1S/C10H18N6O2S/c1-4-12-9(18)13-7(17)5-19-10-15-14-8(11)16(10)6(2)3/h6H,4-5H2,1-3H3,(H2,11,14)(H2,12,13,17,18)
InChIKeyFUEPCAHGJHGICI-UHFFFAOYSA-N
XLogP0.38
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpropanamide
CID 63095245
2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopropylmethyl)acetamide
CID 63090446
2-acetamido-3-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid
CID 64581892
2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(ethylcarbamoyl)acetamide
CID 40576832
4-propan-2-yl-5-propylsulfanyl-1,2,4-triazol-3-amine
CID 63095762
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(ethylcarbamoyl)propanamide
CID 60732683
5-[2-(methylamino)ethylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine
CID 63095774
2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 63089412
2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide
CID 9378073
N-(ethylcarbamoyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16518694
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopropylcarbamoyl)acetamide
CID 60733718
2-[[5-amino-4-(1-methoxy-1-oxopropan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 64573709

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide?
The IUPAC name of 2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide (CID 63090802) is 2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide?
The canonical SMILES for 2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide is CCNC(=O)NC(=O)CSc1nnc(N)n1C(C)C.
What is the InChIKey of 2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide?
The InChIKey is FUEPCAHGJHGICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O2S/c1-4-12-9(18)13-7(17)5-19-10-15-14-8(11)16(10)6(2)3/h6H,4-5H2,1-3H3,(H2,11,14)(H2,12,13,17,18).
What are the key properties of 2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide?
2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide has a molecular weight of 286.36 g/mol, XLogP of 0.38, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide is sourced from PubChem (CID 63090802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).