2,2-dimethyl-1-[4-(thiadiazole-4-carbonyl)piperazin-1-yl]propan-1-one

C12H18N4O2S — CID 154781945

IUPAC2,2-dimethyl-1-[4-(thiadiazole-4-carbonyl)piperazin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCN(C(=O)c2csnn2)CC1
InChIInChI=1S/C12H18N4O2S/c1-12(2,3)11(18)16-6-4-15(5-7-16)10(17)9-8-19-14-13-9/h8H,4-7H2,1-3H3
InChIKeyRESIPOHIJQZQEW-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.87
Rot. Bonds1

About 2,2-dimethyl-1-[4-(thiadiazole-4-carbonyl)piperazin-1-yl]propan-1-one

2,2-dimethyl-1-[4-(thiadiazole-4-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 154781945) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(thiadiazole-4-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(thiadiazole-4-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID154781945
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name2,2-dimethyl-1-[4-(thiadiazole-4-carbonyl)piperazin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCN(C(=O)c2csnn2)CC1
InChIInChI=1S/C12H18N4O2S/c1-12(2,3)11(18)16-6-4-15(5-7-16)10(17)9-8-19-14-13-9/h8H,4-7H2,1-3H3
InChIKeyRESIPOHIJQZQEW-UHFFFAOYSA-N
XLogP0.87
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-propan-2-ylpiperazin-1-yl)-(thiadiazol-4-yl)methanone
CID 166703611
(4-chloropiperidin-1-yl)-(thiadiazol-4-yl)methanone
CID 65216412
[4-(2-hydroxyethyl)piperazin-1-yl]-(thiadiazol-4-yl)methanone
CID 61067356
1,4-diazepan-1-yl(thiadiazol-4-yl)methanone
CID 65214276
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(thiadiazol-4-yl)methanone
CID 47325499
4-ethyl-1-(thiadiazole-4-carbonyl)piperidine-4-carboxylic acid
CID 65214766
2,2-dimethyl-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 110328421
N'-hydroxy-2-[4-(thiadiazole-4-carbonyl)piperazin-1-yl]butanimidamide
CID 77060589
1,4-dimethyl-9-(thiadiazole-4-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97398682
2-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]oxyacetic acid
CID 65214503
1-(thiadiazole-4-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112567973
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(thiadiazol-4-yl)methanone
CID 56817002

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-(thiadiazole-4-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-(thiadiazole-4-carbonyl)piperazin-1-yl]propan-1-one (CID 154781945) is 2,2-dimethyl-1-[4-(thiadiazole-4-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-(thiadiazole-4-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-(thiadiazole-4-carbonyl)piperazin-1-yl]propan-1-one is CC(C)(C)C(=O)N1CCN(C(=O)c2csnn2)CC1.
What is the InChIKey of 2,2-dimethyl-1-[4-(thiadiazole-4-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is RESIPOHIJQZQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-12(2,3)11(18)16-6-4-15(5-7-16)10(17)9-8-19-14-13-9/h8H,4-7H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[4-(thiadiazole-4-carbonyl)piperazin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-(thiadiazole-4-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 282.37 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-(thiadiazole-4-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 154781945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).