[2-(3-bromopropyl)pyrrolidin-1-yl]-(thiadiazol-4-yl)methanone

C10H14BrN3OS — CID 80676172

IUPAC[2-(3-bromopropyl)pyrrolidin-1-yl]-(thiadiazol-4-yl)methanone
SMILESO=C(c1csnn1)N1CCCC1CCCBr
InChIInChI=1S/C10H14BrN3OS/c11-5-1-3-8-4-2-6-14(8)10(15)9-7-16-13-12-9/h7-8H,1-6H2
InChIKeyJWBYEWYPUQPECT-UHFFFAOYSA-N
MW304.21 g/mol
LogP2.32
Rot. Bonds4

About [2-(3-bromopropyl)pyrrolidin-1-yl]-(thiadiazol-4-yl)methanone

[2-(3-bromopropyl)pyrrolidin-1-yl]-(thiadiazol-4-yl)methanone (PubChem CID 80676172) has the molecular formula C10H14BrN3OS and a molecular weight of 304.21 g/mol. Its IUPAC name is [2-(3-bromopropyl)pyrrolidin-1-yl]-(thiadiazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(3-bromopropyl)pyrrolidin-1-yl]-(thiadiazol-4-yl)methanone
PubChem CID80676172
Molecular FormulaC10H14BrN3OS
Molecular Weight304.21 g/mol
Exact Mass303.00
IUPAC Name[2-(3-bromopropyl)pyrrolidin-1-yl]-(thiadiazol-4-yl)methanone
SMILESO=C(c1csnn1)N1CCCC1CCCBr
InChIInChI=1S/C10H14BrN3OS/c11-5-1-3-8-4-2-6-14(8)10(15)9-7-16-13-12-9/h7-8H,1-6H2
InChIKeyJWBYEWYPUQPECT-UHFFFAOYSA-N
XLogP2.32
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze [2-(3-bromopropyl)pyrrolidin-1-yl]-(thiadiazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(thiadiazole-4-carbonyl)piperidin-2-yl]propanoic acid
CID 65214242
[2-(3-bromopropyl)pyrrolidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 80675864
[2-(3-bromopropyl)pyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802319
(2-pyrrolidin-2-ylpyrrolidin-1-yl)-(thiadiazol-4-yl)methanone
CID 65216007
[2-(3-bromopropyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 80677081
[2-(3-bromopropyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 81129669
piperazin-1-yl-[1-(thiadiazole-4-carbonyl)pyrrolidin-2-yl]methanone
CID 65216605
[2-(3-bromopropyl)pyrrolidin-1-yl]-cyclopentylmethanone
CID 80676795
1-[2-(3-bromopropyl)pyrrolidin-1-yl]-2-cyclopropylpropan-1-one
CID 83150427
2-[1-(thiadiazole-4-carbonyl)piperidin-2-yl]cyclohexan-1-one
CID 79553480
[2-(3-bromopropyl)pyrrolidin-1-yl]-(2-ethoxyphenyl)methanone
CID 80675629
2-[1,1-dioxo-4-(thiadiazole-4-carbonyl)-1,4-thiazinan-3-yl]acetic acid
CID 80518587

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromopropyl)pyrrolidin-1-yl]-(thiadiazol-4-yl)methanone?
The IUPAC name of [2-(3-bromopropyl)pyrrolidin-1-yl]-(thiadiazol-4-yl)methanone (CID 80676172) is [2-(3-bromopropyl)pyrrolidin-1-yl]-(thiadiazol-4-yl)methanone.
What is the SMILES notation for [2-(3-bromopropyl)pyrrolidin-1-yl]-(thiadiazol-4-yl)methanone?
The canonical SMILES for [2-(3-bromopropyl)pyrrolidin-1-yl]-(thiadiazol-4-yl)methanone is O=C(c1csnn1)N1CCCC1CCCBr.
What is the InChIKey of [2-(3-bromopropyl)pyrrolidin-1-yl]-(thiadiazol-4-yl)methanone?
The InChIKey is JWBYEWYPUQPECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3OS/c11-5-1-3-8-4-2-6-14(8)10(15)9-7-16-13-12-9/h7-8H,1-6H2.
What are the key properties of [2-(3-bromopropyl)pyrrolidin-1-yl]-(thiadiazol-4-yl)methanone?
[2-(3-bromopropyl)pyrrolidin-1-yl]-(thiadiazol-4-yl)methanone has a molecular weight of 304.21 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromopropyl)pyrrolidin-1-yl]-(thiadiazol-4-yl)methanone is sourced from PubChem (CID 80676172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).