2-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone

C12H21N5OS — CID 65275662

IUPAC2-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone
SMILESCCCc1nsc(N(C)CC(=O)N2CCNCC2)n1
InChIInChI=1S/C12H21N5OS/c1-3-4-10-14-12(19-15-10)16(2)9-11(18)17-7-5-13-6-8-17/h13H,3-9H2,1-2H3
InChIKeyBONCCERQFUCSJI-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.36
Rot. Bonds5

About 2-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone

2-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone (PubChem CID 65275662) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone
PubChem CID65275662
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC Name2-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone
SMILESCCCc1nsc(N(C)CC(=O)N2CCNCC2)n1
InChIInChI=1S/C12H21N5OS/c1-3-4-10-14-12(19-15-10)16(2)9-11(18)17-7-5-13-6-8-17/h13H,3-9H2,1-2H3
InChIKeyBONCCERQFUCSJI-UHFFFAOYSA-N
XLogP0.36
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-methylpiperidin-3-yl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)urea
CID 46990307
2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-propylacetamide
CID 72115341
N-(2-(dimethylamino)ethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 71807138
1-Methyl-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidin-2-one
CID 65274053
N-isopentyl-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 71807130
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-N-ethylacetamide
CID 71913844
1-[3-[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone
CID 71918740
N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide
CID 71925917
3-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-methylpropanamide
CID 71988596
2-(diethylamino)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide
CID 71989635
(2R)-2-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one
CID 75496009
N-[(3S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]butanamide
CID 96567409

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone (CID 65275662) is 2-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone is CCCc1nsc(N(C)CC(=O)N2CCNCC2)n1.
What is the InChIKey of 2-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone?
The InChIKey is BONCCERQFUCSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS/c1-3-4-10-14-12(19-15-10)16(2)9-11(18)17-7-5-13-6-8-17/h13H,3-9H2,1-2H3.
What are the key properties of 2-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone?
2-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone has a molecular weight of 283.40 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 65275662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).