N-cyclopropyl-2-[methyl-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide

C13H21N5O2S — CID 8601346

IUPACN-cyclopropyl-2-[methyl-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide
SMILESCC(C)n1cnnc1SCC(=O)N(C)CC(=O)NC1CC1
InChIInChI=1S/C13H21N5O2S/c1-9(2)18-8-14-16-13(18)21-7-12(20)17(3)6-11(19)15-10-4-5-10/h8-10H,4-7H2,1-3H3,(H,15,19)
InChIKeyHUTLJWHDENGNAB-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.69
Rot. Bonds7

About N-cyclopropyl-2-[methyl-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide

N-cyclopropyl-2-[methyl-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide (PubChem CID 8601346) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-cyclopropyl-2-[methyl-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[methyl-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide
PubChem CID8601346
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC NameN-cyclopropyl-2-[methyl-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide
SMILESCC(C)n1cnnc1SCC(=O)N(C)CC(=O)NC1CC1
InChIInChI=1S/C13H21N5O2S/c1-9(2)18-8-14-16-13(18)21-7-12(20)17(3)6-11(19)15-10-4-5-10/h8-10H,4-7H2,1-3H3,(H,15,19)
InChIKeyHUTLJWHDENGNAB-UHFFFAOYSA-N
XLogP0.69
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-2-[methyl-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1S,3R)-3-[[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676940
4-[methyl-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]butanoic acid
CID 43172446
N-[(4-bromophenyl)methyl]-N-methyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42124277
N-[(4-fluorophenyl)methyl]-N-methyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 84602700
2-[ethyl-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-2-methylpropanoic acid
CID 62819300
N'-acetyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
CID 7675458
3-[propan-2-yl-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]propanoic acid
CID 60830906
N-cyclobutyl-N-(3-hydroxypropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 102866380
2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]-N-cyclopropylacetamide
CID 9416949
2-[[2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-cyclopropylacetamide
CID 102630077
N-cyclopropyl-2-[[2-(1-hydroxypropan-2-ylsulfanyl)acetyl]-methylamino]acetamide
CID 112695476
N-(2-methylbutan-2-yl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42124445

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[methyl-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide?
The IUPAC name of N-cyclopropyl-2-[methyl-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide (CID 8601346) is N-cyclopropyl-2-[methyl-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[methyl-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[methyl-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide is CC(C)n1cnnc1SCC(=O)N(C)CC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[methyl-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide?
The InChIKey is HUTLJWHDENGNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c1-9(2)18-8-14-16-13(18)21-7-12(20)17(3)6-11(19)15-10-4-5-10/h8-10H,4-7H2,1-3H3,(H,15,19).
What are the key properties of N-cyclopropyl-2-[methyl-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide?
N-cyclopropyl-2-[methyl-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide has a molecular weight of 311.41 g/mol, XLogP of 0.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[methyl-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide is sourced from PubChem (CID 8601346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).