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

C14H23N5OS — CID 80619747

IUPAC(4-cyclopentylpiperazin-1-yl)-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone
SMILESCCNc1nnc(C(=O)N2CCN(C3CCCC3)CC2)s1
InChIInChI=1S/C14H23N5OS/c1-2-15-14-17-16-12(21-14)13(20)19-9-7-18(8-10-19)11-5-3-4-6-11/h11H,2-10H2,1H3,(H,15,17)
InChIKeyCKSZIAJIZQFWBG-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.67
Rot. Bonds4

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

(4-cyclopentylpiperazin-1-yl)-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone (PubChem CID 80619747) has the molecular formula C14H23N5OS and a molecular weight of 309.44 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone
PubChem CID80619747
Molecular FormulaC14H23N5OS
Molecular Weight309.44 g/mol
Exact Mass309.16
IUPAC Name(4-cyclopentylpiperazin-1-yl)-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone
SMILESCCNc1nnc(C(=O)N2CCN(C3CCCC3)CC2)s1
InChIInChI=1S/C14H23N5OS/c1-2-15-14-17-16-12(21-14)13(20)19-9-7-18(8-10-19)11-5-3-4-6-11/h11H,2-10H2,1H3,(H,15,17)
InChIKeyCKSZIAJIZQFWBG-UHFFFAOYSA-N
XLogP1.67
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(cyclopropylmethyl)piperazin-1-yl]-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 80616318
(4-tert-butylazepan-1-yl)-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 80618084
[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 80619246
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 80623450
[5-(propylamino)-1,3,4-thiadiazol-2-yl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 80619244
N-cyclooctyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80619130
[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 80623651
[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 80618700
N-cyclobutyl-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616887
N-(cyclohexylmethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615896
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-cyclopentyl-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80615458

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone (CID 80619747) is (4-cyclopentylpiperazin-1-yl)-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone is CCNc1nnc(C(=O)N2CCN(C3CCCC3)CC2)s1.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone?
The InChIKey is CKSZIAJIZQFWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5OS/c1-2-15-14-17-16-12(21-14)13(20)19-9-7-18(8-10-19)11-5-3-4-6-11/h11H,2-10H2,1H3,(H,15,17).
What are the key properties of (4-cyclopentylpiperazin-1-yl)-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone?
(4-cyclopentylpiperazin-1-yl)-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone has a molecular weight of 309.44 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone is sourced from PubChem (CID 80619747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).