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

C14H21N3O2S2 — CID 103348953

IUPAC4-cyclopropylsulfonyl-5-N-(2,2-dicyclopropylethyl)-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCC(C2CC2)C2CC2)c1S(=O)(=O)C1CC1
InChIInChI=1S/C14H21N3O2S2/c15-13-12(21(18,19)10-5-6-10)14(20-17-13)16-7-11(8-1-2-8)9-3-4-9/h8-11,16H,1-7H2,(H2,15,17)
InChIKeyOAPZEZPDHSQHLZ-UHFFFAOYSA-N
MW327.48 g/mol
LogP2.51
Rot. Bonds7

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

4-cyclopropylsulfonyl-5-N-(2,2-dicyclopropylethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103348953) has the molecular formula C14H21N3O2S2 and a molecular weight of 327.48 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-5-N-(2,2-dicyclopropylethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-5-N-(2,2-dicyclopropylethyl)-1,2-thiazole-3,5-diamine
PubChem CID103348953
Molecular FormulaC14H21N3O2S2
Molecular Weight327.48 g/mol
Exact Mass327.11
IUPAC Name4-cyclopropylsulfonyl-5-N-(2,2-dicyclopropylethyl)-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCC(C2CC2)C2CC2)c1S(=O)(=O)C1CC1
InChIInChI=1S/C14H21N3O2S2/c15-13-12(21(18,19)10-5-6-10)14(20-17-13)16-7-11(8-1-2-8)9-3-4-9/h8-11,16H,1-7H2,(H2,15,17)
InChIKeyOAPZEZPDHSQHLZ-UHFFFAOYSA-N
XLogP2.51
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
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-(2,2-dicyclopropylethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropylsulfonyl-5-N-(2,2-dicyclopropylethyl)-1,2-thiazole-3,5-diamine (CID 103348953) is 4-cyclopropylsulfonyl-5-N-(2,2-dicyclopropylethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropylsulfonyl-5-N-(2,2-dicyclopropylethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropylsulfonyl-5-N-(2,2-dicyclopropylethyl)-1,2-thiazole-3,5-diamine is Nc1nsc(NCC(C2CC2)C2CC2)c1S(=O)(=O)C1CC1.
What is the InChIKey of 4-cyclopropylsulfonyl-5-N-(2,2-dicyclopropylethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is OAPZEZPDHSQHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S2/c15-13-12(21(18,19)10-5-6-10)14(20-17-13)16-7-11(8-1-2-8)9-3-4-9/h8-11,16H,1-7H2,(H2,15,17).
What are the key properties of 4-cyclopropylsulfonyl-5-N-(2,2-dicyclopropylethyl)-1,2-thiazole-3,5-diamine?
4-cyclopropylsulfonyl-5-N-(2,2-dicyclopropylethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 327.48 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonyl-5-N-(2,2-dicyclopropylethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103348953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).