4-cyclopropylsulfonyl-5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine

C9H11N5O3S2 — CID 106412715

IUPAC4-cyclopropylsulfonyl-5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCc2ncon2)c1S(=O)(=O)C1CC1
InChIInChI=1S/C9H11N5O3S2/c10-8-7(19(15,16)5-1-2-5)9(18-14-8)11-3-6-12-4-17-13-6/h4-5,11H,1-3H2,(H2,10,14)
InChIKeyFSRZIBASASDNHJ-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.66
Rot. Bonds5

About 4-cyclopropylsulfonyl-5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine

4-cyclopropylsulfonyl-5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine (PubChem CID 106412715) has the molecular formula C9H11N5O3S2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine
PubChem CID106412715
Molecular FormulaC9H11N5O3S2
Molecular Weight301.35 g/mol
Exact Mass301.03
IUPAC Name4-cyclopropylsulfonyl-5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCc2ncon2)c1S(=O)(=O)C1CC1
InChIInChI=1S/C9H11N5O3S2/c10-8-7(19(15,16)5-1-2-5)9(18-14-8)11-3-6-12-4-17-13-6/h4-5,11H,1-3H2,(H2,10,14)
InChIKeyFSRZIBASASDNHJ-UHFFFAOYSA-N
XLogP0.66
TPSA124.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-cyclopropylsulfonyl-5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine 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

4-methoxy-5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine
CID 106412716
3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)-1,2-thiazole-4-carbonitrile
CID 106412732
5-N-butyl-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine
CID 103349511
[2-[[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol
CID 103348959
4-cyclopropylsulfonyl-5-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 103349226
4-cyclopropylsulfonyl-5-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 106424884
4-cyclopropylsulfonyl-5-N-(2-methylsulfanylpropyl)-1,2-thiazole-3,5-diamine
CID 103349793
1-[[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclohexan-1-ol
CID 103348943
4-cyclopropylsulfonyl-5-N-(3-methylpentan-2-yl)-1,2-thiazole-3,5-diamine
CID 103348893
3-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazine-2,3-diamine
CID 106411526
4-cyclopropylsulfonyl-5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine
CID 103348949
4-cyclopropylsulfonyl-5-N-(2-methylcycloheptyl)-1,2-thiazole-3,5-diamine
CID 103348955

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylsulfonyl-5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropylsulfonyl-5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine (CID 106412715) is 4-cyclopropylsulfonyl-5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropylsulfonyl-5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropylsulfonyl-5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine is Nc1nsc(NCc2ncon2)c1S(=O)(=O)C1CC1.
What is the InChIKey of 4-cyclopropylsulfonyl-5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is FSRZIBASASDNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O3S2/c10-8-7(19(15,16)5-1-2-5)9(18-14-8)11-3-6-12-4-17-13-6/h4-5,11H,1-3H2,(H2,10,14).
What are the key properties of 4-cyclopropylsulfonyl-5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine?
4-cyclopropylsulfonyl-5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 301.35 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonyl-5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 106412715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).