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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Related Compounds

3-[[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106103741
5-N-(cyclopropylmethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103382331
5-N-(2-methylsulfanylethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103381226
4-methylsulfonyl-5-N-(1,3-thiazol-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103378499
4-ethylsulfonyl-5-N-[(2-methylthiolan-2-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103364732
5-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103383159
5-N-[(5-ethylthiophen-2-yl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 106015690
[2-[[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol
CID 103378959
5-N-[(4-fluorophenyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103382558
5-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103378174
4-ethylsulfonyl-5-N-[(3-methoxyoxolan-3-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103365449
5-N-(3-methylcyclobutyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103384326

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).