4-cyclopropylsulfonyl-5-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine

C11H15N5O3S2 — CID 106424884

IUPAC4-cyclopropylsulfonyl-5-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine
SMILESCc1nc(CCNc2snc(N)c2S(=O)(=O)C2CC2)no1
InChIInChI=1S/C11H15N5O3S2/c1-6-14-8(15-19-6)4-5-13-11-9(10(12)16-20-11)21(17,18)7-2-3-7/h7,13H,2-5H2,1H3,(H2,12,16)
InChIKeyOPCXOTJTCMADML-UHFFFAOYSA-N
MW329.41 g/mol
LogP1.01
Rot. Bonds6

About 4-cyclopropylsulfonyl-5-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine

4-cyclopropylsulfonyl-5-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine (PubChem CID 106424884) has the molecular formula C11H15N5O3S2 and a molecular weight of 329.41 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-5-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-5-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine
PubChem CID106424884
Molecular FormulaC11H15N5O3S2
Molecular Weight329.41 g/mol
Exact Mass329.06
IUPAC Name4-cyclopropylsulfonyl-5-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine
SMILESCc1nc(CCNc2snc(N)c2S(=O)(=O)C2CC2)no1
InChIInChI=1S/C11H15N5O3S2/c1-6-14-8(15-19-6)4-5-13-11-9(10(12)16-20-11)21(17,18)7-2-3-7/h7,13H,2-5H2,1H3,(H2,12,16)
InChIKeyOPCXOTJTCMADML-UHFFFAOYSA-N
XLogP1.01
TPSA124.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylsulfonyl-5-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropylsulfonyl-5-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine (CID 106424884) is 4-cyclopropylsulfonyl-5-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropylsulfonyl-5-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropylsulfonyl-5-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine is Cc1nc(CCNc2snc(N)c2S(=O)(=O)C2CC2)no1.
What is the InChIKey of 4-cyclopropylsulfonyl-5-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine?
The InChIKey is OPCXOTJTCMADML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3S2/c1-6-14-8(15-19-6)4-5-13-11-9(10(12)16-20-11)21(17,18)7-2-3-7/h7,13H,2-5H2,1H3,(H2,12,16).
What are the key properties of 4-cyclopropylsulfonyl-5-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine?
4-cyclopropylsulfonyl-5-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine has a molecular weight of 329.41 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonyl-5-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 106424884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).