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

C13H21N3O2S2 — CID 103349332

IUPAC5-N-(1-cyclopentylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCC(Nc1snc(N)c1S(=O)(=O)C1CC1)C1CCCC1
InChIInChI=1S/C13H21N3O2S2/c1-8(9-4-2-3-5-9)15-13-11(12(14)16-19-13)20(17,18)10-6-7-10/h8-10,15H,2-7H2,1H3,(H2,14,16)
InChIKeyPKEHSAQNXRJWSK-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.65
Rot. Bonds5

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

5-N-(1-cyclopentylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine (PubChem CID 103349332) has the molecular formula C13H21N3O2S2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 5-N-(1-cyclopentylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(1-cyclopentylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine
PubChem CID103349332
Molecular FormulaC13H21N3O2S2
Molecular Weight315.46 g/mol
Exact Mass315.11
IUPAC Name5-N-(1-cyclopentylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCC(Nc1snc(N)c1S(=O)(=O)C1CC1)C1CCCC1
InChIInChI=1S/C13H21N3O2S2/c1-8(9-4-2-3-5-9)15-13-11(12(14)16-19-13)20(17,18)10-6-7-10/h8-10,15H,2-7H2,1H3,(H2,14,16)
InChIKeyPKEHSAQNXRJWSK-UHFFFAOYSA-N
XLogP2.65
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-(1-cyclopentylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(1-cyclopentylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine (CID 103349332) is 5-N-(1-cyclopentylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(1-cyclopentylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(1-cyclopentylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine is CC(Nc1snc(N)c1S(=O)(=O)C1CC1)C1CCCC1.
What is the InChIKey of 5-N-(1-cyclopentylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine?
The InChIKey is PKEHSAQNXRJWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S2/c1-8(9-4-2-3-5-9)15-13-11(12(14)16-19-13)20(17,18)10-6-7-10/h8-10,15H,2-7H2,1H3,(H2,14,16).
What are the key properties of 5-N-(1-cyclopentylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine?
5-N-(1-cyclopentylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine has a molecular weight of 315.46 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1-cyclopentylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103349332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).