5-N-[(1-ethylcyclopropyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine

C10H17N3O2S2 — CID 114102738

IUPAC5-N-[(1-ethylcyclopropyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCCC1(CNc2snc(N)c2S(C)(=O)=O)CC1
InChIInChI=1S/C10H17N3O2S2/c1-3-10(4-5-10)6-12-9-7(17(2,14)15)8(11)13-16-9/h12H,3-6H2,1-2H3,(H2,11,13)
InChIKeyLKEHPJZLQPFVOW-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.73
Rot. Bonds5

About 5-N-[(1-ethylcyclopropyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine

5-N-[(1-ethylcyclopropyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine (PubChem CID 114102738) has the molecular formula C10H17N3O2S2 and a molecular weight of 275.40 g/mol. Its IUPAC name is 5-N-[(1-ethylcyclopropyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(1-ethylcyclopropyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
PubChem CID114102738
Molecular FormulaC10H17N3O2S2
Molecular Weight275.40 g/mol
Exact Mass275.08
IUPAC Name5-N-[(1-ethylcyclopropyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCCC1(CNc2snc(N)c2S(C)(=O)=O)CC1
InChIInChI=1S/C10H17N3O2S2/c1-3-10(4-5-10)6-12-9-7(17(2,14)15)8(11)13-16-9/h12H,3-6H2,1-2H3,(H2,11,13)
InChIKeyLKEHPJZLQPFVOW-UHFFFAOYSA-N
XLogP1.73
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-[(1-ethylcyclopropyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(1-ethylcyclopropyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine (CID 114102738) is 5-N-[(1-ethylcyclopropyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(1-ethylcyclopropyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(1-ethylcyclopropyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine is CCC1(CNc2snc(N)c2S(C)(=O)=O)CC1.
What is the InChIKey of 5-N-[(1-ethylcyclopropyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The InChIKey is LKEHPJZLQPFVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S2/c1-3-10(4-5-10)6-12-9-7(17(2,14)15)8(11)13-16-9/h12H,3-6H2,1-2H3,(H2,11,13).
What are the key properties of 5-N-[(1-ethylcyclopropyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
5-N-[(1-ethylcyclopropyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine has a molecular weight of 275.40 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(1-ethylcyclopropyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 114102738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).