[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

C12H16N6OS2 — CID 80618700

IUPAC[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCCNc1nnc(C(=O)N2CCN(c3nccs3)CC2)s1
InChIInChI=1S/C12H16N6OS2/c1-2-13-11-16-15-9(21-11)10(19)17-4-6-18(7-5-17)12-14-3-8-20-12/h3,8H,2,4-7H2,1H3,(H,13,16)
InChIKeyXTWASWJJGSLTTF-UHFFFAOYSA-N
MW324.44 g/mol
LogP1.39
Rot. Bonds4

About [5-(ethylamino)-1,3,4-thiadiazol-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 80618700) has the molecular formula C12H16N6OS2 and a molecular weight of 324.44 g/mol. Its IUPAC name is [5-(ethylamino)-1,3,4-thiadiazol-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID80618700
Molecular FormulaC12H16N6OS2
Molecular Weight324.44 g/mol
Exact Mass324.08
IUPAC Name[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCCNc1nnc(C(=O)N2CCN(c3nccs3)CC2)s1
InChIInChI=1S/C12H16N6OS2/c1-2-13-11-16-15-9(21-11)10(19)17-4-6-18(7-5-17)12-14-3-8-20-12/h3,8H,2,4-7H2,1H3,(H,13,16)
InChIKeyXTWASWJJGSLTTF-UHFFFAOYSA-N
XLogP1.39
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.44
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[4-(cyclopropylmethyl)piperazin-1-yl]-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 80616318
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 80616769
2-[[amino-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]amino]-N-ethylacetamide;hydroiodide
CID 111032115
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
CID 158048076
3,3-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
CID 70866199
5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]thiophene-2-carboxylic acid
CID 43414558
(4-tert-butylazepan-1-yl)-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 80618084
(2-propan-2-ylsulfanyl-3-pyridinyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 47039184
5-(ethylamino)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3,4-thiadiazole-2-carboxamide
CID 80616520
1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanone
CID 62757440
2-(propan-2-ylamino)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 60841085
2-ethoxy-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 60708282

Frequently Asked Questions

What is the IUPAC name of [5-(ethylamino)-1,3,4-thiadiazol-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [5-(ethylamino)-1,3,4-thiadiazol-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 80618700) is [5-(ethylamino)-1,3,4-thiadiazol-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(ethylamino)-1,3,4-thiadiazol-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(ethylamino)-1,3,4-thiadiazol-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is CCNc1nnc(C(=O)N2CCN(c3nccs3)CC2)s1.
What is the InChIKey of [5-(ethylamino)-1,3,4-thiadiazol-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is XTWASWJJGSLTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6OS2/c1-2-13-11-16-15-9(21-11)10(19)17-4-6-18(7-5-17)12-14-3-8-20-12/h3,8H,2,4-7H2,1H3,(H,13,16).
What are the key properties of [5-(ethylamino)-1,3,4-thiadiazol-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 324.44 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(ethylamino)-1,3,4-thiadiazol-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 80618700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).