(4-cyclobutyl-1,4-diazepan-1-yl)-(4-propylthiadiazol-5-yl)methanone

C15H24N4OS — CID 131703065

IUPAC(4-cyclobutyl-1,4-diazepan-1-yl)-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCCN(C2CCC2)CC1
InChIInChI=1S/C15H24N4OS/c1-2-5-13-14(21-17-16-13)15(20)19-9-4-8-18(10-11-19)12-6-3-7-12/h12H,2-11H2,1H3
InChIKeyGANATIOQVHBYEH-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.19
Rot. Bonds4

About (4-cyclobutyl-1,4-diazepan-1-yl)-(4-propylthiadiazol-5-yl)methanone

(4-cyclobutyl-1,4-diazepan-1-yl)-(4-propylthiadiazol-5-yl)methanone (PubChem CID 131703065) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is (4-cyclobutyl-1,4-diazepan-1-yl)-(4-propylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(4-cyclobutyl-1,4-diazepan-1-yl)-(4-propylthiadiazol-5-yl)methanone
PubChem CID131703065
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name(4-cyclobutyl-1,4-diazepan-1-yl)-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCCN(C2CCC2)CC1
InChIInChI=1S/C15H24N4OS/c1-2-5-13-14(21-17-16-13)15(20)19-9-4-8-18(10-11-19)12-6-3-7-12/h12H,2-11H2,1H3
InChIKeyGANATIOQVHBYEH-UHFFFAOYSA-N
XLogP2.19
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-cyclobutyl-1,4-diazepan-1-yl)-(4-propylthiadiazol-5-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

N-[2-(azepan-1-yl)ethyl]-4-ethylthiadiazole-5-carboxamide
CID 47168544
N,N,4-triethyl-1,2,3-thiadiazole-5-carboxamide
CID 51073256
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-4-propyl-1,2,3-thiadiazole-5-carboxamide
CID 71789237
4-ethyl-N-[2-(2-methylpiperidin-1-yl)propyl]thiadiazole-5-carboxamide
CID 45819986
1-[4-(4-Ethylthiadiazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 53505982
(1S*,6R*)-3-methyl-9-[(4-propyl-1,2,3-thiadiazol-5-yl)carbonyl]-3,9-diazabicyclo[4.2.1]nonane
CID 91765091
N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-4-propylthiadiazole-5-carboxamide
CID 125520907
4-cyclopropyl-N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]thiadiazole-5-carboxamide
CID 136587878
(6R)-N,1-dimethyl-4-(4-propylthiadiazole-5-carbonyl)-1,4-diazepane-6-carboxamide
CID 129568134
(4-Propyl-1,2,3-thiadiazol-5-yl)(2-(trifluoromethyl)piperidin-1-yl)methanone
CID 92092306
(3-(Fluoromethyl)azetidin-1-yl)(4-propyl-1,2,3-thiadiazol-5-yl)methanone
CID 121021088
(3-Fluoro-8-azabicyclo[3.2.1]octan-8-yl)-(4-propylthiadiazol-5-yl)methanone
CID 137890027

Frequently Asked Questions

What is the IUPAC name of (4-cyclobutyl-1,4-diazepan-1-yl)-(4-propylthiadiazol-5-yl)methanone?
The IUPAC name of (4-cyclobutyl-1,4-diazepan-1-yl)-(4-propylthiadiazol-5-yl)methanone (CID 131703065) is (4-cyclobutyl-1,4-diazepan-1-yl)-(4-propylthiadiazol-5-yl)methanone.
What is the SMILES notation for (4-cyclobutyl-1,4-diazepan-1-yl)-(4-propylthiadiazol-5-yl)methanone?
The canonical SMILES for (4-cyclobutyl-1,4-diazepan-1-yl)-(4-propylthiadiazol-5-yl)methanone is CCCc1nnsc1C(=O)N1CCCN(C2CCC2)CC1.
What is the InChIKey of (4-cyclobutyl-1,4-diazepan-1-yl)-(4-propylthiadiazol-5-yl)methanone?
The InChIKey is GANATIOQVHBYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-2-5-13-14(21-17-16-13)15(20)19-9-4-8-18(10-11-19)12-6-3-7-12/h12H,2-11H2,1H3.
What are the key properties of (4-cyclobutyl-1,4-diazepan-1-yl)-(4-propylthiadiazol-5-yl)methanone?
(4-cyclobutyl-1,4-diazepan-1-yl)-(4-propylthiadiazol-5-yl)methanone has a molecular weight of 308.45 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutyl-1,4-diazepan-1-yl)-(4-propylthiadiazol-5-yl)methanone is sourced from PubChem (CID 131703065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).