N-(1-methoxypropan-2-yl)-1-(thiolan-3-yl)imidazol-2-amine

C11H19N3OS — CID 106583133

IUPACN-(1-methoxypropan-2-yl)-1-(thiolan-3-yl)imidazol-2-amine
SMILESCOCC(C)Nc1nccn1C1CCSC1
InChIInChI=1S/C11H19N3OS/c1-9(7-15-2)13-11-12-4-5-14(11)10-3-6-16-8-10/h4-5,9-10H,3,6-8H2,1-2H3,(H,12,13)
InChIKeyIISFVCDLJHMILW-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.01
Rot. Bonds5

About N-(1-methoxypropan-2-yl)-1-(thiolan-3-yl)imidazol-2-amine

N-(1-methoxypropan-2-yl)-1-(thiolan-3-yl)imidazol-2-amine (PubChem CID 106583133) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-1-(thiolan-3-yl)imidazol-2-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-1-(thiolan-3-yl)imidazol-2-amine
PubChem CID106583133
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-(1-methoxypropan-2-yl)-1-(thiolan-3-yl)imidazol-2-amine
SMILESCOCC(C)Nc1nccn1C1CCSC1
InChIInChI=1S/C11H19N3OS/c1-9(7-15-2)13-11-12-4-5-14(11)10-3-6-16-8-10/h4-5,9-10H,3,6-8H2,1-2H3,(H,12,13)
InChIKeyIISFVCDLJHMILW-UHFFFAOYSA-N
XLogP2.01
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-N-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106554635
N-(2-methoxyethyl)-1-(thiolan-3-yl)imidazol-2-amine
CID 106583170
N-(1-methoxypropan-2-yl)-1-(1-oxothian-4-yl)imidazol-2-amine
CID 106580407
N-(2-methoxyethyl)-1-(thian-3-yl)imidazol-2-amine
CID 106582594
N-propyl-1-(thiolan-3-yl)imidazol-2-amine
CID 106583171
N-(1-methoxypropan-2-yl)-1-[1-(oxolan-3-yl)ethyl]imidazol-2-amine
CID 106582613
N-(1-methoxypropan-2-yl)-1-(thian-2-ylmethyl)imidazol-2-amine
CID 106577112
N,1-bis(1-methoxypropan-2-yl)imidazol-2-amine
CID 106556138
1-(2,3-dihydro-1-benzofuran-3-yl)-N-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106574399
1-cyclopentyl-N-(1-methoxypentan-2-yl)imidazol-2-amine
CID 106574824
1-cyclohexyl-N-(4-methylpentan-2-yl)imidazol-2-amine
CID 106561711
N-propyl-1-(thian-4-yl)imidazol-2-amine
CID 106582155

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-1-(thiolan-3-yl)imidazol-2-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-1-(thiolan-3-yl)imidazol-2-amine (CID 106583133) is N-(1-methoxypropan-2-yl)-1-(thiolan-3-yl)imidazol-2-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-1-(thiolan-3-yl)imidazol-2-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-1-(thiolan-3-yl)imidazol-2-amine is COCC(C)Nc1nccn1C1CCSC1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-1-(thiolan-3-yl)imidazol-2-amine?
The InChIKey is IISFVCDLJHMILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-9(7-15-2)13-11-12-4-5-14(11)10-3-6-16-8-10/h4-5,9-10H,3,6-8H2,1-2H3,(H,12,13).
What are the key properties of N-(1-methoxypropan-2-yl)-1-(thiolan-3-yl)imidazol-2-amine?
N-(1-methoxypropan-2-yl)-1-(thiolan-3-yl)imidazol-2-amine has a molecular weight of 241.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-1-(thiolan-3-yl)imidazol-2-amine is sourced from PubChem (CID 106583133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).