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

C12H22N4O2S2 — CID 103349128

IUPAC4-cyclopropylsulfonyl-5-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2-thiazole-3,5-diamine
SMILESCC(C)N(C)CCNc1snc(N)c1S(=O)(=O)C1CC1
InChIInChI=1S/C12H22N4O2S2/c1-8(2)16(3)7-6-14-12-10(11(13)15-19-12)20(17,18)9-4-5-9/h8-9,14H,4-7H2,1-3H3,(H2,13,15)
InChIKeyRLAXTXLXSBYVRL-UHFFFAOYSA-N
MW318.47 g/mol
LogP1.41
Rot. Bonds7

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

4-cyclopropylsulfonyl-5-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2-thiazole-3,5-diamine (PubChem CID 103349128) has the molecular formula C12H22N4O2S2 and a molecular weight of 318.47 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-5-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-5-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2-thiazole-3,5-diamine
PubChem CID103349128
Molecular FormulaC12H22N4O2S2
Molecular Weight318.47 g/mol
Exact Mass318.12
IUPAC Name4-cyclopropylsulfonyl-5-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2-thiazole-3,5-diamine
SMILESCC(C)N(C)CCNc1snc(N)c1S(=O)(=O)C1CC1
InChIInChI=1S/C12H22N4O2S2/c1-8(2)16(3)7-6-14-12-10(11(13)15-19-12)20(17,18)9-4-5-9/h8-9,14H,4-7H2,1-3H3,(H2,13,15)
InChIKeyRLAXTXLXSBYVRL-UHFFFAOYSA-N
XLogP1.41
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylsulfonyl-5-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropylsulfonyl-5-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2-thiazole-3,5-diamine (CID 103349128) is 4-cyclopropylsulfonyl-5-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropylsulfonyl-5-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropylsulfonyl-5-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2-thiazole-3,5-diamine is CC(C)N(C)CCNc1snc(N)c1S(=O)(=O)C1CC1.
What is the InChIKey of 4-cyclopropylsulfonyl-5-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2-thiazole-3,5-diamine?
The InChIKey is RLAXTXLXSBYVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S2/c1-8(2)16(3)7-6-14-12-10(11(13)15-19-12)20(17,18)9-4-5-9/h8-9,14H,4-7H2,1-3H3,(H2,13,15).
What are the key properties of 4-cyclopropylsulfonyl-5-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2-thiazole-3,5-diamine?
4-cyclopropylsulfonyl-5-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2-thiazole-3,5-diamine has a molecular weight of 318.47 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonyl-5-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103349128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).