5-N-(1-ethylcyclobutyl)-4-methyl-1,2-thiazole-3,5-diamine

C10H17N3S — CID 103365338

IUPAC5-N-(1-ethylcyclobutyl)-4-methyl-1,2-thiazole-3,5-diamine
SMILESCCC1(Nc2snc(N)c2C)CCC1
InChIInChI=1S/C10H17N3S/c1-3-10(5-4-6-10)12-9-7(2)8(11)13-14-9/h12H,3-6H2,1-2H3,(H2,11,13)
InChIKeyHEUCTRULMYZIBU-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.78
Rot. Bonds3

About 5-N-(1-ethylcyclobutyl)-4-methyl-1,2-thiazole-3,5-diamine

5-N-(1-ethylcyclobutyl)-4-methyl-1,2-thiazole-3,5-diamine (PubChem CID 103365338) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 5-N-(1-ethylcyclobutyl)-4-methyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(1-ethylcyclobutyl)-4-methyl-1,2-thiazole-3,5-diamine
PubChem CID103365338
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name5-N-(1-ethylcyclobutyl)-4-methyl-1,2-thiazole-3,5-diamine
SMILESCCC1(Nc2snc(N)c2C)CCC1
InChIInChI=1S/C10H17N3S/c1-3-10(5-4-6-10)12-9-7(2)8(11)13-14-9/h12H,3-6H2,1-2H3,(H2,11,13)
InChIKeyHEUCTRULMYZIBU-UHFFFAOYSA-N
XLogP2.78
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(1-ethylcyclobutyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103365332
5-N-(1-ethylcyclobutyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103365334
5-(2,2-dimethylhydrazinyl)-4-methyl-1,2-thiazol-3-amine
CID 103364838
1-[(3-amino-4-methyl-1,2-thiazol-5-yl)amino]-2-methylpropan-2-ol
CID 103359829
5-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine
CID 107165740
5-N-(cyclohexylmethyl)-4-methyl-1,2-thiazole-3,5-diamine
CID 103363934
5-N-(1-cyclopropylethyl)-4-methyl-1,2-thiazole-3,5-diamine
CID 103364006
2-N-(1-ethylcyclobutyl)-1,3,4-oxadiazole-2,5-diamine
CID 103437308
5-N-[(1-ethylcyclopropyl)methyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 114102738
4-methyl-5-N-(thian-4-yl)-1,2-thiazole-3,5-diamine
CID 103365642
4-methyl-5-N-(3-methylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103363914
4-methyl-5-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103359286

Frequently Asked Questions

What is the IUPAC name of 5-N-(1-ethylcyclobutyl)-4-methyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(1-ethylcyclobutyl)-4-methyl-1,2-thiazole-3,5-diamine (CID 103365338) is 5-N-(1-ethylcyclobutyl)-4-methyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(1-ethylcyclobutyl)-4-methyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(1-ethylcyclobutyl)-4-methyl-1,2-thiazole-3,5-diamine is CCC1(Nc2snc(N)c2C)CCC1.
What is the InChIKey of 5-N-(1-ethylcyclobutyl)-4-methyl-1,2-thiazole-3,5-diamine?
The InChIKey is HEUCTRULMYZIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-3-10(5-4-6-10)12-9-7(2)8(11)13-14-9/h12H,3-6H2,1-2H3,(H2,11,13).
What are the key properties of 5-N-(1-ethylcyclobutyl)-4-methyl-1,2-thiazole-3,5-diamine?
5-N-(1-ethylcyclobutyl)-4-methyl-1,2-thiazole-3,5-diamine has a molecular weight of 211.33 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1-ethylcyclobutyl)-4-methyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103365338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).