(5-amino-1,3,4-thiadiazol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone

C9H15N5OS — CID 80618423

IUPAC(5-amino-1,3,4-thiadiazol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCN1CCCN(C(=O)c2nnc(N)s2)CC1
InChIInChI=1S/C9H15N5OS/c1-13-3-2-4-14(6-5-13)8(15)7-11-12-9(10)16-7/h2-6H2,1H3,(H2,10,12)
InChIKeyWBIRXCSQQPBREH-UHFFFAOYSA-N
MW241.32 g/mol
LogP-0.10
Rot. Bonds1

About (5-amino-1,3,4-thiadiazol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone

(5-amino-1,3,4-thiadiazol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone (PubChem CID 80618423) has the molecular formula C9H15N5OS and a molecular weight of 241.32 g/mol. Its IUPAC name is (5-amino-1,3,4-thiadiazol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-1,3,4-thiadiazol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
PubChem CID80618423
Molecular FormulaC9H15N5OS
Molecular Weight241.32 g/mol
Exact Mass241.10
IUPAC Name(5-amino-1,3,4-thiadiazol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCN1CCCN(C(=O)c2nnc(N)s2)CC1
InChIInChI=1S/C9H15N5OS/c1-13-3-2-4-14(6-5-13)8(15)7-11-12-9(10)16-7/h2-6H2,1H3,(H2,10,12)
InChIKeyWBIRXCSQQPBREH-UHFFFAOYSA-N
XLogP-0.10
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5-amino-1,3,4-thiadiazol-2-yl)-(4-methyl-1,4-diazepan-1-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

(5-amino-1,3,4-thiadiazol-2-yl)-(3-methylpiperidin-1-yl)methanone
CID 80615611
(5-amino-1,3,4-thiadiazol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 80616567
[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 80614899
(5-amino-1,3,4-thiadiazol-2-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107394925
(5-amino-1,3,4-thiadiazol-2-yl)-(4-propylpiperidin-1-yl)methanone
CID 80616319
(5-amino-1,3,4-thiadiazol-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 80618421
(5-amino-1,3,4-thiadiazol-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 80616823
4-(5-amino-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one
CID 80615710
[4-amino-2-(diethylamino)-1,3-thiazol-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 116669079
(4-methyl-1,4-diazepan-1-yl)-(2H-triazol-4-yl)methanone
CID 112732680
(4-methylpiperazin-1-yl)-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone
CID 110384590
(3-aminothieno[2,3-c]pyridin-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 114289131

Frequently Asked Questions

What is the IUPAC name of (5-amino-1,3,4-thiadiazol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of (5-amino-1,3,4-thiadiazol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone (CID 80618423) is (5-amino-1,3,4-thiadiazol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for (5-amino-1,3,4-thiadiazol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for (5-amino-1,3,4-thiadiazol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone is CN1CCCN(C(=O)c2nnc(N)s2)CC1.
What is the InChIKey of (5-amino-1,3,4-thiadiazol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone?
The InChIKey is WBIRXCSQQPBREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5OS/c1-13-3-2-4-14(6-5-13)8(15)7-11-12-9(10)16-7/h2-6H2,1H3,(H2,10,12).
What are the key properties of (5-amino-1,3,4-thiadiazol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone?
(5-amino-1,3,4-thiadiazol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone has a molecular weight of 241.32 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1,3,4-thiadiazol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 80618423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).