3-amino-N,N-dimethyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-sulfonamide

C10H20N4O2S3 — CID 103365285

IUPAC3-amino-N,N-dimethyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-sulfonamide
SMILESCSCCCCNc1snc(N)c1S(=O)(=O)N(C)C
InChIInChI=1S/C10H20N4O2S3/c1-14(2)19(15,16)8-9(11)13-18-10(8)12-6-4-5-7-17-3/h12H,4-7H2,1-3H3,(H2,11,13)
InChIKeyIYOOXUHRMKIJMQ-UHFFFAOYSA-N
MW324.50 g/mol
LogP1.53
Rot. Bonds8

About 3-amino-N,N-dimethyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-sulfonamide

3-amino-N,N-dimethyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-sulfonamide (PubChem CID 103365285) has the molecular formula C10H20N4O2S3 and a molecular weight of 324.50 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-sulfonamide
PubChem CID103365285
Molecular FormulaC10H20N4O2S3
Molecular Weight324.50 g/mol
Exact Mass324.07
IUPAC Name3-amino-N,N-dimethyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-sulfonamide
SMILESCSCCCCNc1snc(N)c1S(=O)(=O)N(C)C
InChIInChI=1S/C10H20N4O2S3/c1-14(2)19(15,16)8-9(11)13-18-10(8)12-6-4-5-7-17-3/h12H,4-7H2,1-3H3,(H2,11,13)
InChIKeyIYOOXUHRMKIJMQ-UHFFFAOYSA-N
XLogP1.53
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.50
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-[2-(dimethylamino)ethylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103363380
3-amino-N,N-dimethyl-5-(4,4,4-trifluorobutylamino)-1,2-thiazole-4-sulfonamide
CID 103364947
3-amino-N,N-dimethyl-5-[3-[methyl(propan-2-yl)amino]propylamino]-1,2-thiazole-4-sulfonamide
CID 106044547
5-N-(2-methylsulfanylethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103381226
3-amino-5-(2-cyclohexylethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103364216
3-amino-5-(2-cyclopentyloxyethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103361701
3-amino-5-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 107855833
3-amino-N-cyclopropyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-carboxamide
CID 103384184
3-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 106259011
3-amino-N,N-dimethyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1,2-thiazole-4-sulfonamide
CID 103365036
3-amino-N,N-dimethyl-5-(6-methylheptan-2-ylamino)-1,2-thiazole-4-sulfonamide
CID 103359978
3-amino-5-(1,4-dioxan-2-ylmethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103359254

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-sulfonamide?
The IUPAC name of 3-amino-N,N-dimethyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-sulfonamide (CID 103365285) is 3-amino-N,N-dimethyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-sulfonamide?
The canonical SMILES for 3-amino-N,N-dimethyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-sulfonamide is CSCCCCNc1snc(N)c1S(=O)(=O)N(C)C.
What is the InChIKey of 3-amino-N,N-dimethyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-sulfonamide?
The InChIKey is IYOOXUHRMKIJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S3/c1-14(2)19(15,16)8-9(11)13-18-10(8)12-6-4-5-7-17-3/h12H,4-7H2,1-3H3,(H2,11,13).
What are the key properties of 3-amino-N,N-dimethyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-sulfonamide?
3-amino-N,N-dimethyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-sulfonamide has a molecular weight of 324.50 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-sulfonamide is sourced from PubChem (CID 103365285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).