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

C13H21N3O2S2 — CID 103348933

IUPAC4-cyclopropylsulfonyl-5-N-(2,3-dimethylcyclopentyl)-1,2-thiazole-3,5-diamine
SMILESCC1CCC(Nc2snc(N)c2S(=O)(=O)C2CC2)C1C
InChIInChI=1S/C13H21N3O2S2/c1-7-3-6-10(8(7)2)15-13-11(12(14)16-19-13)20(17,18)9-4-5-9/h7-10,15H,3-6H2,1-2H3,(H2,14,16)
InChIKeyRUDZMHZLFJZOCM-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.51
Rot. Bonds4

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

4-cyclopropylsulfonyl-5-N-(2,3-dimethylcyclopentyl)-1,2-thiazole-3,5-diamine (PubChem CID 103348933) has the molecular formula C13H21N3O2S2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-5-N-(2,3-dimethylcyclopentyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-5-N-(2,3-dimethylcyclopentyl)-1,2-thiazole-3,5-diamine
PubChem CID103348933
Molecular FormulaC13H21N3O2S2
Molecular Weight315.46 g/mol
Exact Mass315.11
IUPAC Name4-cyclopropylsulfonyl-5-N-(2,3-dimethylcyclopentyl)-1,2-thiazole-3,5-diamine
SMILESCC1CCC(Nc2snc(N)c2S(=O)(=O)C2CC2)C1C
InChIInChI=1S/C13H21N3O2S2/c1-7-3-6-10(8(7)2)15-13-11(12(14)16-19-13)20(17,18)9-4-5-9/h7-10,15H,3-6H2,1-2H3,(H2,14,16)
InChIKeyRUDZMHZLFJZOCM-UHFFFAOYSA-N
XLogP2.51
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylsulfonyl-5-N-(2,3-dimethylcyclopentyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropylsulfonyl-5-N-(2,3-dimethylcyclopentyl)-1,2-thiazole-3,5-diamine (CID 103348933) is 4-cyclopropylsulfonyl-5-N-(2,3-dimethylcyclopentyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropylsulfonyl-5-N-(2,3-dimethylcyclopentyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropylsulfonyl-5-N-(2,3-dimethylcyclopentyl)-1,2-thiazole-3,5-diamine is CC1CCC(Nc2snc(N)c2S(=O)(=O)C2CC2)C1C.
What is the InChIKey of 4-cyclopropylsulfonyl-5-N-(2,3-dimethylcyclopentyl)-1,2-thiazole-3,5-diamine?
The InChIKey is RUDZMHZLFJZOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S2/c1-7-3-6-10(8(7)2)15-13-11(12(14)16-19-13)20(17,18)9-4-5-9/h7-10,15H,3-6H2,1-2H3,(H2,14,16).
What are the key properties of 4-cyclopropylsulfonyl-5-N-(2,3-dimethylcyclopentyl)-1,2-thiazole-3,5-diamine?
4-cyclopropylsulfonyl-5-N-(2,3-dimethylcyclopentyl)-1,2-thiazole-3,5-diamine has a molecular weight of 315.46 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonyl-5-N-(2,3-dimethylcyclopentyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103348933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).