N-propan-2-yl-1-(thiolan-2-ylmethyl)imidazol-2-amine

C11H19N3S — CID 106576786

IUPACN-propan-2-yl-1-(thiolan-2-ylmethyl)imidazol-2-amine
SMILESCC(C)Nc1nccn1CC1CCCS1
InChIInChI=1S/C11H19N3S/c1-9(2)13-11-12-5-6-14(11)8-10-4-3-7-15-10/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,12,13)
InChIKeyKHGUWVANXMFQTJ-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.60
Rot. Bonds4

About N-propan-2-yl-1-(thiolan-2-ylmethyl)imidazol-2-amine

N-propan-2-yl-1-(thiolan-2-ylmethyl)imidazol-2-amine (PubChem CID 106576786) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-propan-2-yl-1-(thiolan-2-ylmethyl)imidazol-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-1-(thiolan-2-ylmethyl)imidazol-2-amine
PubChem CID106576786
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-propan-2-yl-1-(thiolan-2-ylmethyl)imidazol-2-amine
SMILESCC(C)Nc1nccn1CC1CCCS1
InChIInChI=1S/C11H19N3S/c1-9(2)13-11-12-5-6-14(11)8-10-4-3-7-15-10/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,12,13)
InChIKeyKHGUWVANXMFQTJ-UHFFFAOYSA-N
XLogP2.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,4-dithian-2-ylmethyl)-N-propan-2-ylimidazol-2-amine
CID 106580102
N-(1-methoxypropan-2-yl)-1-(thian-2-ylmethyl)imidazol-2-amine
CID 106577112
N-propyl-1-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576814
N-(2-methoxyethyl)-1-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576813
N-butyl-1-(thian-2-ylmethyl)imidazol-2-amine
CID 106577111
1-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylimidazol-2-amine
CID 106567048
1-[(1-methylpyrrolidin-3-yl)methyl]-N-propan-2-ylimidazol-2-amine
CID 106563035
1-prop-2-enyl-N-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576782
1-(3-ethoxypropyl)-N-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576791
2-(2-methylimidazol-1-yl)-N-(thiolan-2-ylmethyl)ethanamine
CID 80585420
1-cyclopentyl-N-(thian-2-ylmethyl)imidazol-2-amine
CID 106577148
1-[2-(1-methylpiperidin-4-yl)ethyl]-N-propan-2-ylimidazol-2-amine
CID 106581922

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-(thiolan-2-ylmethyl)imidazol-2-amine?
The IUPAC name of N-propan-2-yl-1-(thiolan-2-ylmethyl)imidazol-2-amine (CID 106576786) is N-propan-2-yl-1-(thiolan-2-ylmethyl)imidazol-2-amine.
What is the SMILES notation for N-propan-2-yl-1-(thiolan-2-ylmethyl)imidazol-2-amine?
The canonical SMILES for N-propan-2-yl-1-(thiolan-2-ylmethyl)imidazol-2-amine is CC(C)Nc1nccn1CC1CCCS1.
What is the InChIKey of N-propan-2-yl-1-(thiolan-2-ylmethyl)imidazol-2-amine?
The InChIKey is KHGUWVANXMFQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-9(2)13-11-12-5-6-14(11)8-10-4-3-7-15-10/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,12,13).
What are the key properties of N-propan-2-yl-1-(thiolan-2-ylmethyl)imidazol-2-amine?
N-propan-2-yl-1-(thiolan-2-ylmethyl)imidazol-2-amine has a molecular weight of 225.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-(thiolan-2-ylmethyl)imidazol-2-amine is sourced from PubChem (CID 106576786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).