5-N-(3-imidazol-1-ylpropyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine

C10H15N5O2S2 — CID 103382745

IUPAC5-N-(3-imidazol-1-ylpropyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCS(=O)(=O)c1c(N)nsc1NCCCn1ccnc1
InChIInChI=1S/C10H15N5O2S2/c1-19(16,17)8-9(11)14-18-10(8)13-3-2-5-15-6-4-12-7-15/h4,6-7,13H,2-3,5H2,1H3,(H2,11,14)
InChIKeySKTZVEPBZQPKBF-UHFFFAOYSA-N
MW301.40 g/mol
LogP0.83
Rot. Bonds6

About 5-N-(3-imidazol-1-ylpropyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine

5-N-(3-imidazol-1-ylpropyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine (PubChem CID 103382745) has the molecular formula C10H15N5O2S2 and a molecular weight of 301.40 g/mol. Its IUPAC name is 5-N-(3-imidazol-1-ylpropyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(3-imidazol-1-ylpropyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
PubChem CID103382745
Molecular FormulaC10H15N5O2S2
Molecular Weight301.40 g/mol
Exact Mass301.07
IUPAC Name5-N-(3-imidazol-1-ylpropyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCS(=O)(=O)c1c(N)nsc1NCCCn1ccnc1
InChIInChI=1S/C10H15N5O2S2/c1-19(16,17)8-9(11)14-18-10(8)13-3-2-5-15-6-4-12-7-15/h4,6-7,13H,2-3,5H2,1H3,(H2,11,14)
InChIKeySKTZVEPBZQPKBF-UHFFFAOYSA-N
XLogP0.83
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-ethylsulfonyl-5-N-(4-imidazol-1-ylbutyl)-1,2-thiazole-3,5-diamine
CID 103360335
5-N-(4-imidazol-1-ylbutyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103360334
5-N-(2-imidazol-1-ylethyl)-4-methyl-1,2-thiazole-3,5-diamine
CID 103359501
ethyl 3-amino-5-(3-imidazol-1-ylpropylamino)-1,2-thiazole-4-carboxylate
CID 103382747
5-N-(3-imidazol-1-ylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103382750
N-(3-imidazol-1-ylpropyl)-1-methylimidazol-2-amine
CID 62132911
N-(3-imidazol-1-ylpropyl)-1-methylpyrazol-3-amine
CID 79778766
4-N,6-N-bis(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19154189
5-amino-N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzenesulfonamide
CID 28993569
5-acetyl-4-amino-2-(3-imidazol-1-ylpropylamino)thiophene-3-carbonitrile
CID 103426816
N-(6-imidazol-1-ylhexyl)methanesulfonamide
CID 110441232
5-amino-N-(3-imidazol-1-ylpropyl)-1-methylpyrazole-4-sulfonamide
CID 82459797

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-imidazol-1-ylpropyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(3-imidazol-1-ylpropyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine (CID 103382745) is 5-N-(3-imidazol-1-ylpropyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(3-imidazol-1-ylpropyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(3-imidazol-1-ylpropyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine is CS(=O)(=O)c1c(N)nsc1NCCCn1ccnc1.
What is the InChIKey of 5-N-(3-imidazol-1-ylpropyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The InChIKey is SKTZVEPBZQPKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S2/c1-19(16,17)8-9(11)14-18-10(8)13-3-2-5-15-6-4-12-7-15/h4,6-7,13H,2-3,5H2,1H3,(H2,11,14).
What are the key properties of 5-N-(3-imidazol-1-ylpropyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
5-N-(3-imidazol-1-ylpropyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine has a molecular weight of 301.40 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-imidazol-1-ylpropyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103382745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).