1-[4-[(5-chlorothiadiazol-4-yl)methyl]piperazin-1-yl]-2-cyclopentylethanone

C14H21ClN4OS — CID 71898340

IUPAC1-[4-[(5-chlorothiadiazol-4-yl)methyl]piperazin-1-yl]-2-cyclopentylethanone
SMILESO=C(CC1CCCC1)N1CCN(Cc2nnsc2Cl)CC1
InChIInChI=1S/C14H21ClN4OS/c15-14-12(16-17-21-14)10-18-5-7-19(8-6-18)13(20)9-11-3-1-2-4-11/h11H,1-10H2
InChIKeyUJWKZINVHDDCQH-UHFFFAOYSA-N
MW328.87 g/mol
LogP2.42
Rot. Bonds4

About 1-[4-[(5-chlorothiadiazol-4-yl)methyl]piperazin-1-yl]-2-cyclopentylethanone

1-[4-[(5-chlorothiadiazol-4-yl)methyl]piperazin-1-yl]-2-cyclopentylethanone (PubChem CID 71898340) has the molecular formula C14H21ClN4OS and a molecular weight of 328.87 g/mol. Its IUPAC name is 1-[4-[(5-chlorothiadiazol-4-yl)methyl]piperazin-1-yl]-2-cyclopentylethanone.

Molecular Properties

Compound Name1-[4-[(5-chlorothiadiazol-4-yl)methyl]piperazin-1-yl]-2-cyclopentylethanone
PubChem CID71898340
Molecular FormulaC14H21ClN4OS
Molecular Weight328.87 g/mol
Exact Mass328.11
IUPAC Name1-[4-[(5-chlorothiadiazol-4-yl)methyl]piperazin-1-yl]-2-cyclopentylethanone
SMILESO=C(CC1CCCC1)N1CCN(Cc2nnsc2Cl)CC1
InChIInChI=1S/C14H21ClN4OS/c15-14-12(16-17-21-14)10-18-5-7-19(8-6-18)13(20)9-11-3-1-2-4-11/h11H,1-10H2
InChIKeyUJWKZINVHDDCQH-UHFFFAOYSA-N
XLogP2.42
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.87
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-chlorothiadiazol-4-yl)methylamino]-N-(2-methylpropyl)cyclopentane-1-carboxamide
CID 71857526
N-butyl-1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-4-carboxamide
CID 37209920
1-[(5-Chlorothiadiazol-4-yl)methyl]piperidin-2-one
CID 43625594
1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 45797150
Azepan-1-yl-[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-4-yl]methanone
CID 45799092
[1-[(5-Chlorothiadiazol-4-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 45801693
2-(1-((5-Chloro-1,2,3-thiadiazol-4-yl)methyl)piperidin-4-yl)acetamide
CID 51081958
N-(2-aminoethyl)-1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-3-carboxamide
CID 63252974
1-[(5-Chlorothiadiazol-4-yl)methyl]-5-ethylazepan-2-one
CID 64343540
1-[(5-Chlorothiadiazol-4-yl)methyl]-5-propylazepan-2-one
CID 64343557
1-[(5-Chlorothiadiazol-4-yl)methyl]-5-methylazepan-2-one
CID 64346257
1-[(5-Chlorothiadiazol-4-yl)methyl]-5-propan-2-ylazepan-2-one
CID 64346680

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-chlorothiadiazol-4-yl)methyl]piperazin-1-yl]-2-cyclopentylethanone?
The IUPAC name of 1-[4-[(5-chlorothiadiazol-4-yl)methyl]piperazin-1-yl]-2-cyclopentylethanone (CID 71898340) is 1-[4-[(5-chlorothiadiazol-4-yl)methyl]piperazin-1-yl]-2-cyclopentylethanone.
What is the SMILES notation for 1-[4-[(5-chlorothiadiazol-4-yl)methyl]piperazin-1-yl]-2-cyclopentylethanone?
The canonical SMILES for 1-[4-[(5-chlorothiadiazol-4-yl)methyl]piperazin-1-yl]-2-cyclopentylethanone is O=C(CC1CCCC1)N1CCN(Cc2nnsc2Cl)CC1.
What is the InChIKey of 1-[4-[(5-chlorothiadiazol-4-yl)methyl]piperazin-1-yl]-2-cyclopentylethanone?
The InChIKey is UJWKZINVHDDCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4OS/c15-14-12(16-17-21-14)10-18-5-7-19(8-6-18)13(20)9-11-3-1-2-4-11/h11H,1-10H2.
What are the key properties of 1-[4-[(5-chlorothiadiazol-4-yl)methyl]piperazin-1-yl]-2-cyclopentylethanone?
1-[4-[(5-chlorothiadiazol-4-yl)methyl]piperazin-1-yl]-2-cyclopentylethanone has a molecular weight of 328.87 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-chlorothiadiazol-4-yl)methyl]piperazin-1-yl]-2-cyclopentylethanone is sourced from PubChem (CID 71898340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).