N-(1-methoxypropan-2-yl)-1-(thian-2-ylmethyl)imidazol-2-amine

C13H23N3OS — CID 106577112

IUPACN-(1-methoxypropan-2-yl)-1-(thian-2-ylmethyl)imidazol-2-amine
SMILESCOCC(C)Nc1nccn1CC1CCCCS1
InChIInChI=1S/C13H23N3OS/c1-11(10-17-2)15-13-14-6-7-16(13)9-12-5-3-4-8-18-12/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,14,15)
InChIKeyBIZYNNANIBZYAX-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.62
Rot. Bonds6

About N-(1-methoxypropan-2-yl)-1-(thian-2-ylmethyl)imidazol-2-amine

N-(1-methoxypropan-2-yl)-1-(thian-2-ylmethyl)imidazol-2-amine (PubChem CID 106577112) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-1-(thian-2-ylmethyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-1-(thian-2-ylmethyl)imidazol-2-amine
PubChem CID106577112
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN-(1-methoxypropan-2-yl)-1-(thian-2-ylmethyl)imidazol-2-amine
SMILESCOCC(C)Nc1nccn1CC1CCCCS1
InChIInChI=1S/C13H23N3OS/c1-11(10-17-2)15-13-14-6-7-16(13)9-12-5-3-4-8-18-12/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,14,15)
InChIKeyBIZYNNANIBZYAX-UHFFFAOYSA-N
XLogP2.62
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propan-2-yl-1-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576786
N-(2-methoxyethyl)-1-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576813
N-(1-methoxypropan-2-yl)-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560082
1-cyclohexyl-N-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106554635
N-butyl-1-(thian-2-ylmethyl)imidazol-2-amine
CID 106577111
N-propyl-1-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576814
1-(1,4-dithian-2-ylmethyl)-N-propan-2-ylimidazol-2-amine
CID 106580102
N-(1-methoxypropan-2-yl)-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine
CID 106574347
N-(1-methoxypropan-2-yl)-1-(3-methylbutyl)imidazol-2-amine
CID 106557283
N-(1-methoxypropan-2-yl)-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine
CID 106572044
N-(1-methoxypropan-2-yl)-1-(thiolan-3-yl)imidazol-2-amine
CID 106583133
N-(1-methoxypropan-2-yl)-1-[2-(2-methylpropoxy)ethyl]imidazol-2-amine
CID 106582356

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-1-(thian-2-ylmethyl)imidazol-2-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-1-(thian-2-ylmethyl)imidazol-2-amine (CID 106577112) is N-(1-methoxypropan-2-yl)-1-(thian-2-ylmethyl)imidazol-2-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-1-(thian-2-ylmethyl)imidazol-2-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-1-(thian-2-ylmethyl)imidazol-2-amine is COCC(C)Nc1nccn1CC1CCCCS1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-1-(thian-2-ylmethyl)imidazol-2-amine?
The InChIKey is BIZYNNANIBZYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-11(10-17-2)15-13-14-6-7-16(13)9-12-5-3-4-8-18-12/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,14,15).
What are the key properties of N-(1-methoxypropan-2-yl)-1-(thian-2-ylmethyl)imidazol-2-amine?
N-(1-methoxypropan-2-yl)-1-(thian-2-ylmethyl)imidazol-2-amine has a molecular weight of 269.41 g/mol, XLogP of 2.62, 6 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-(thian-2-ylmethyl)imidazol-2-amine is sourced from PubChem (CID 106577112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).