5-N-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine

C13H19N3O2S2 — CID 103348913

IUPAC5-N-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NC2CC3CCC2C3)c1S(=O)(=O)C1CC1
InChIInChI=1S/C13H19N3O2S2/c14-12-11(20(17,18)9-3-4-9)13(19-16-12)15-10-6-7-1-2-8(10)5-7/h7-10,15H,1-6H2,(H2,14,16)
InChIKeyFWAYZTRRXIEBDY-UHFFFAOYSA-N
MW313.45 g/mol
LogP2.26
Rot. Bonds4

About 5-N-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine

5-N-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine (PubChem CID 103348913) has the molecular formula C13H19N3O2S2 and a molecular weight of 313.45 g/mol. Its IUPAC name is 5-N-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine
PubChem CID103348913
Molecular FormulaC13H19N3O2S2
Molecular Weight313.45 g/mol
Exact Mass313.09
IUPAC Name5-N-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NC2CC3CCC2C3)c1S(=O)(=O)C1CC1
InChIInChI=1S/C13H19N3O2S2/c14-12-11(20(17,18)9-3-4-9)13(19-16-12)15-10-6-7-1-2-8(10)5-7/h7-10,15H,1-6H2,(H2,14,16)
InChIKeyFWAYZTRRXIEBDY-UHFFFAOYSA-N
XLogP2.26
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-N-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine with MolForge

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Related Compounds

4-cyclopropylsulfonyl-5-N-(3-methylpentan-2-yl)-1,2-thiazole-3,5-diamine
CID 103348893
4-cyclopropylsulfonyl-5-N-(4,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103348905
4-cyclopropylsulfonyl-5-N-(3,5-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103348925
4-cyclopropylsulfonyl-5-N-(3,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103348927
4-cyclopropylsulfonyl-5-N-(3-ethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103348929
4-cyclopropylsulfonyl-5-N-(2,3-dimethylcyclopentyl)-1,2-thiazole-3,5-diamine
CID 103348933
4-cyclopropylsulfonyl-5-N-(3-ethyl-2-methylcyclopentyl)-1,2-thiazole-3,5-diamine
CID 103348935
4-cyclopropylsulfonyl-5-N-(4-methylhexan-2-yl)-1,2-thiazole-3,5-diamine
CID 103348949
4-cyclopropylsulfonyl-5-N-(2,2-dicyclopropylethyl)-1,2-thiazole-3,5-diamine
CID 103348953
4-cyclopropylsulfonyl-5-N-(2-methylcycloheptyl)-1,2-thiazole-3,5-diamine
CID 103348955
4-cyclopropylsulfonyl-5-N-(2-ethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103348961
4-cyclopropylsulfonyl-5-N-(4-ethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103348963

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine (CID 103348913) is 5-N-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine is Nc1nsc(NC2CC3CCC2C3)c1S(=O)(=O)C1CC1.
What is the InChIKey of 5-N-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine?
The InChIKey is FWAYZTRRXIEBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S2/c14-12-11(20(17,18)9-3-4-9)13(19-16-12)15-10-6-7-1-2-8(10)5-7/h7-10,15H,1-6H2,(H2,14,16).
What are the key properties of 5-N-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine?
5-N-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine has a molecular weight of 313.45 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103348913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).