5-N-hexan-2-yl-4-propan-2-yloxy-1,2-thiazole-3,5-diamine

C12H23N3OS — CID 103360909

IUPAC5-N-hexan-2-yl-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
SMILESCCCCC(C)Nc1snc(N)c1OC(C)C
InChIInChI=1S/C12H23N3OS/c1-5-6-7-9(4)14-12-10(16-8(2)3)11(13)15-17-12/h8-9,14H,5-7H2,1-4H3,(H2,13,15)
InChIKeyZWXZTPZDGFDEMS-UHFFFAOYSA-N
MW257.40 g/mol
LogP3.50
Rot. Bonds7

About 5-N-hexan-2-yl-4-propan-2-yloxy-1,2-thiazole-3,5-diamine

5-N-hexan-2-yl-4-propan-2-yloxy-1,2-thiazole-3,5-diamine (PubChem CID 103360909) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is 5-N-hexan-2-yl-4-propan-2-yloxy-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-hexan-2-yl-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
PubChem CID103360909
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC Name5-N-hexan-2-yl-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
SMILESCCCCC(C)Nc1snc(N)c1OC(C)C
InChIInChI=1S/C12H23N3OS/c1-5-6-7-9(4)14-12-10(16-8(2)3)11(13)15-17-12/h8-9,14H,5-7H2,1-4H3,(H2,13,15)
InChIKeyZWXZTPZDGFDEMS-UHFFFAOYSA-N
XLogP3.50
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-5-N-octan-2-yl-1,2-thiazole-3,5-diamine
CID 103360011
1-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]pentan-3-ol
CID 103365683
5-(2,2-dimethylhydrazinyl)-4-propan-2-yloxy-1,2-thiazol-3-amine
CID 103364840
5-N-(1-cyclohexylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360985
5-N-hexan-2-yl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349113
5-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360124
5-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]-4,4-dimethylpentan-1-ol
CID 106150463
4-ethoxy-5-N-hexan-3-yl-1,2-thiazole-3,5-diamine
CID 103360878
4-propan-2-yloxy-5-N-(3-pyrazol-1-ylpropyl)-1,2-thiazole-3,5-diamine
CID 103365233
5-N-(2-piperidin-1-ylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103359194
4-propan-2-yloxy-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine
CID 107299145
4-propan-2-yloxy-5-N-(1H-pyrazol-5-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103359486

Frequently Asked Questions

What is the IUPAC name of 5-N-hexan-2-yl-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-hexan-2-yl-4-propan-2-yloxy-1,2-thiazole-3,5-diamine (CID 103360909) is 5-N-hexan-2-yl-4-propan-2-yloxy-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-hexan-2-yl-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-hexan-2-yl-4-propan-2-yloxy-1,2-thiazole-3,5-diamine is CCCCC(C)Nc1snc(N)c1OC(C)C.
What is the InChIKey of 5-N-hexan-2-yl-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The InChIKey is ZWXZTPZDGFDEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-5-6-7-9(4)14-12-10(16-8(2)3)11(13)15-17-12/h8-9,14H,5-7H2,1-4H3,(H2,13,15).
What are the key properties of 5-N-hexan-2-yl-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
5-N-hexan-2-yl-4-propan-2-yloxy-1,2-thiazole-3,5-diamine has a molecular weight of 257.40 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-hexan-2-yl-4-propan-2-yloxy-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).