3-amino-5-(2-bicyclo[2.2.1]heptanylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide

C12H20N4O2S2 — CID 103359679

IUPAC3-amino-5-(2-bicyclo[2.2.1]heptanylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
SMILESCN(C)S(=O)(=O)c1c(N)nsc1NC1CC2CCC1C2
InChIInChI=1S/C12H20N4O2S2/c1-16(2)20(17,18)10-11(13)15-19-12(10)14-9-6-7-3-4-8(9)5-7/h7-9,14H,3-6H2,1-2H3,(H2,13,15)
InChIKeyANDFGSROQWIBSU-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.58
Rot. Bonds4

About 3-amino-5-(2-bicyclo[2.2.1]heptanylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide

3-amino-5-(2-bicyclo[2.2.1]heptanylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide (PubChem CID 103359679) has the molecular formula C12H20N4O2S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 3-amino-5-(2-bicyclo[2.2.1]heptanylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-5-(2-bicyclo[2.2.1]heptanylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
PubChem CID103359679
Molecular FormulaC12H20N4O2S2
Molecular Weight316.45 g/mol
Exact Mass316.10
IUPAC Name3-amino-5-(2-bicyclo[2.2.1]heptanylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
SMILESCN(C)S(=O)(=O)c1c(N)nsc1NC1CC2CCC1C2
InChIInChI=1S/C12H20N4O2S2/c1-16(2)20(17,18)10-11(13)15-19-12(10)14-9-6-7-3-4-8(9)5-7/h7-9,14H,3-6H2,1-2H3,(H2,13,15)
InChIKeyANDFGSROQWIBSU-UHFFFAOYSA-N
XLogP1.58
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-5-(2-bicyclo[2.2.1]heptanylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide with MolForge

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Related Compounds

3-amino-5-[(3,5-dimethylcyclohexyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103359748
5-N-(2-bicyclo[2.2.1]heptanyl)-4-ethoxy-1,2-thiazole-3,5-diamine
CID 103359681
5-(2-bicyclo[2.2.1]heptanylamino)-3-methyl-1,2-thiazole-4-carbonitrile
CID 79376069
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-(dimethylamino)ethylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103363380
4-ethylsulfonyl-5-N-(2-methylcyclopropyl)-1,2-thiazole-3,5-diamine
CID 103360963
3-amino-5-(1,4-dioxan-2-ylmethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103359254
ethyl 5-(2-bicyclo[2.2.1]heptanylamino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79364490
4-ethylsulfonyl-5-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2-thiazole-3,5-diamine
CID 103364621
3-amino-N,N-dimethyl-5-[3-[methyl(propan-2-yl)amino]propylamino]-1,2-thiazole-4-sulfonamide
CID 106044547
3-amino-N,N-dimethyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-sulfonamide
CID 103365285

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-bicyclo[2.2.1]heptanylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
The IUPAC name of 3-amino-5-(2-bicyclo[2.2.1]heptanylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide (CID 103359679) is 3-amino-5-(2-bicyclo[2.2.1]heptanylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide.
What is the SMILES notation for 3-amino-5-(2-bicyclo[2.2.1]heptanylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
The canonical SMILES for 3-amino-5-(2-bicyclo[2.2.1]heptanylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide is CN(C)S(=O)(=O)c1c(N)nsc1NC1CC2CCC1C2.
What is the InChIKey of 3-amino-5-(2-bicyclo[2.2.1]heptanylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
The InChIKey is ANDFGSROQWIBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S2/c1-16(2)20(17,18)10-11(13)15-19-12(10)14-9-6-7-3-4-8(9)5-7/h7-9,14H,3-6H2,1-2H3,(H2,13,15).
What are the key properties of 3-amino-5-(2-bicyclo[2.2.1]heptanylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide?
3-amino-5-(2-bicyclo[2.2.1]heptanylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide has a molecular weight of 316.45 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-bicyclo[2.2.1]heptanylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide is sourced from PubChem (CID 103359679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).