N-cyclopropyl-N-ethyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide

C15H25N5OS — CID 71925922

IUPACN-cyclopropyl-N-ethyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide
SMILESCCN(C(=O)CN1CCCN(c2nc(C)ns2)CC1)C1CC1
InChIInChI=1S/C15H25N5OS/c1-3-20(13-5-6-13)14(21)11-18-7-4-8-19(10-9-18)15-16-12(2)17-22-15/h13H,3-11H2,1-2H3
InChIKeyWROWMGIXTRVWHJ-UHFFFAOYSA-N
MW323.47 g/mol
LogP1.37
Rot. Bonds5

About N-cyclopropyl-N-ethyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide

N-cyclopropyl-N-ethyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide (PubChem CID 71925922) has the molecular formula C15H25N5OS and a molecular weight of 323.47 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide
PubChem CID71925922
Molecular FormulaC15H25N5OS
Molecular Weight323.47 g/mol
Exact Mass323.18
IUPAC NameN-cyclopropyl-N-ethyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide
SMILESCCN(C(=O)CN1CCCN(c2nc(C)ns2)CC1)C1CC1
InChIInChI=1S/C15H25N5OS/c1-3-20(13-5-6-13)14(21)11-18-7-4-8-19(10-9-18)15-16-12(2)17-22-15/h13H,3-11H2,1-2H3
InChIKeyWROWMGIXTRVWHJ-UHFFFAOYSA-N
XLogP1.37
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-N-methylacetamide
CID 71925886
N-cyclopropyl-N-methyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide
CID 71925915
N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide
CID 71925917
(3S)-4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,3-dimethylpiperazin-2-one
CID 99778221
1-[4-(3-Methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 71926255
1-[4-(3-Ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2,2,3,3-tetrafluoropropan-1-one
CID 154749869
1-[2,3,5,6-Tetramethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
CID 71277803
N-cyclopropyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetamide
CID 65268318
N-cyclopropyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetamide
CID 65271400
N-cyclopropyl-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]acetamide
CID 65271401
3-methyl-N,N-dipropyl-1,2,4-thiadiazole-5-carboxamide
CID 71807106
1-[4-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 71860393

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-N-ethyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide (CID 71925922) is N-cyclopropyl-N-ethyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide is CCN(C(=O)CN1CCCN(c2nc(C)ns2)CC1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide?
The InChIKey is WROWMGIXTRVWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5OS/c1-3-20(13-5-6-13)14(21)11-18-7-4-8-19(10-9-18)15-16-12(2)17-22-15/h13H,3-11H2,1-2H3.
What are the key properties of N-cyclopropyl-N-ethyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide?
N-cyclopropyl-N-ethyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide has a molecular weight of 323.47 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 71925922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).