4-propan-2-yloxy-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine

C11H19N3OS2 — CID 107299145

IUPAC4-propan-2-yloxy-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESCC(C)Oc1c(N)nsc1NCC1CCSC1
InChIInChI=1S/C11H19N3OS2/c1-7(2)15-9-10(12)14-17-11(9)13-5-8-3-4-16-6-8/h7-8,13H,3-6H2,1-2H3,(H2,12,14)
InChIKeyKSGAWQAGGASELD-UHFFFAOYSA-N
MW273.43 g/mol
LogP2.68
Rot. Bonds5

About 4-propan-2-yloxy-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine

4-propan-2-yloxy-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine (PubChem CID 107299145) has the molecular formula C11H19N3OS2 and a molecular weight of 273.43 g/mol. Its IUPAC name is 4-propan-2-yloxy-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-propan-2-yloxy-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine
PubChem CID107299145
Molecular FormulaC11H19N3OS2
Molecular Weight273.43 g/mol
Exact Mass273.10
IUPAC Name4-propan-2-yloxy-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESCC(C)Oc1c(N)nsc1NCC1CCSC1
InChIInChI=1S/C11H19N3OS2/c1-7(2)15-9-10(12)14-17-11(9)13-5-8-3-4-16-6-8/h7-8,13H,3-6H2,1-2H3,(H2,12,14)
InChIKeyKSGAWQAGGASELD-UHFFFAOYSA-N
XLogP2.68
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.43
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-[(1-ethylpiperidin-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360238
4-ethylsulfonyl-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine
CID 107299141
1-[[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 103359858
4-methoxy-5-N-(oxan-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103380641
5-N-(1-cyclohexylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360985
5-N-(4-methoxybutyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360266
5-N-(2-piperidin-1-ylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103359194
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-methylpiperidin-3-yl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103359426
5-N-[(2-ethylphenyl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103359743
3-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 103365194

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-propan-2-yloxy-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine (CID 107299145) is 4-propan-2-yloxy-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-propan-2-yloxy-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-propan-2-yloxy-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine is CC(C)Oc1c(N)nsc1NCC1CCSC1.
What is the InChIKey of 4-propan-2-yloxy-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is KSGAWQAGGASELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS2/c1-7(2)15-9-10(12)14-17-11(9)13-5-8-3-4-16-6-8/h7-8,13H,3-6H2,1-2H3,(H2,12,14).
What are the key properties of 4-propan-2-yloxy-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine?
4-propan-2-yloxy-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 273.43 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 107299145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).