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

C13H21N5OS — CID 80616318

IUPAC[4-(cyclopropylmethyl)piperazin-1-yl]-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone
SMILESCCNc1nnc(C(=O)N2CCN(CC3CC3)CC2)s1
InChIInChI=1S/C13H21N5OS/c1-2-14-13-16-15-11(20-13)12(19)18-7-5-17(6-8-18)9-10-3-4-10/h10H,2-9H2,1H3,(H,14,16)
InChIKeyGRFOLTLLBWQAII-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.14
Rot. Bonds5

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

[4-(cyclopropylmethyl)piperazin-1-yl]-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone (PubChem CID 80616318) has the molecular formula C13H21N5OS and a molecular weight of 295.41 g/mol. Its IUPAC name is [4-(cyclopropylmethyl)piperazin-1-yl]-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone.

Molecular Properties

Compound Name[4-(cyclopropylmethyl)piperazin-1-yl]-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone
PubChem CID80616318
Molecular FormulaC13H21N5OS
Molecular Weight295.41 g/mol
Exact Mass295.15
IUPAC Name[4-(cyclopropylmethyl)piperazin-1-yl]-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone
SMILESCCNc1nnc(C(=O)N2CCN(CC3CC3)CC2)s1
InChIInChI=1S/C13H21N5OS/c1-2-14-13-16-15-11(20-13)12(19)18-7-5-17(6-8-18)9-10-3-4-10/h10H,2-9H2,1H3,(H,14,16)
InChIKeyGRFOLTLLBWQAII-UHFFFAOYSA-N
XLogP1.14
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-cyclopentylpiperazin-1-yl)-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 80619747
(4-tert-butylazepan-1-yl)-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 80618084
[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 80618700
[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 80619246
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
N-(cyclopropylmethyl)-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80615771
[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 80623651
[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 80615425
5-(ethylamino)-N-(1-ethylpiperidin-4-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80616290
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 115561682
[4-(cyclopropylmethyl)piperazin-1-yl]-[6-(ethylamino)-3-pyridinyl]methanone
CID 62176965
N-cyclobutyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616887

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethyl)piperazin-1-yl]-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone?
The IUPAC name of [4-(cyclopropylmethyl)piperazin-1-yl]-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone (CID 80616318) is [4-(cyclopropylmethyl)piperazin-1-yl]-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone.
What is the SMILES notation for [4-(cyclopropylmethyl)piperazin-1-yl]-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone?
The canonical SMILES for [4-(cyclopropylmethyl)piperazin-1-yl]-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone is CCNc1nnc(C(=O)N2CCN(CC3CC3)CC2)s1.
What is the InChIKey of [4-(cyclopropylmethyl)piperazin-1-yl]-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone?
The InChIKey is GRFOLTLLBWQAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5OS/c1-2-14-13-16-15-11(20-13)12(19)18-7-5-17(6-8-18)9-10-3-4-10/h10H,2-9H2,1H3,(H,14,16).
What are the key properties of [4-(cyclopropylmethyl)piperazin-1-yl]-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone?
[4-(cyclopropylmethyl)piperazin-1-yl]-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone has a molecular weight of 295.41 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethyl)piperazin-1-yl]-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone is sourced from PubChem (CID 80616318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).