N-(1-methoxypropan-2-yl)-1-(1-oxothian-4-yl)imidazol-2-amine

C12H21N3O2S — CID 106580407

IUPACN-(1-methoxypropan-2-yl)-1-(1-oxothian-4-yl)imidazol-2-amine
SMILESCOCC(C)Nc1nccn1C1CCS(=O)CC1
InChIInChI=1S/C12H21N3O2S/c1-10(9-17-2)14-12-13-5-6-15(12)11-3-7-18(16)8-4-11/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,13,14)
InChIKeyJDJDBSLQXUJBOM-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.41
Rot. Bonds5

About N-(1-methoxypropan-2-yl)-1-(1-oxothian-4-yl)imidazol-2-amine

N-(1-methoxypropan-2-yl)-1-(1-oxothian-4-yl)imidazol-2-amine (PubChem CID 106580407) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-1-(1-oxothian-4-yl)imidazol-2-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-1-(1-oxothian-4-yl)imidazol-2-amine
PubChem CID106580407
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-(1-methoxypropan-2-yl)-1-(1-oxothian-4-yl)imidazol-2-amine
SMILESCOCC(C)Nc1nccn1C1CCS(=O)CC1
InChIInChI=1S/C12H21N3O2S/c1-10(9-17-2)14-12-13-5-6-15(12)11-3-7-18(16)8-4-11/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,13,14)
InChIKeyJDJDBSLQXUJBOM-UHFFFAOYSA-N
XLogP1.41
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.41
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-(1-methoxypropan-2-yl)-1-(thiolan-3-yl)imidazol-2-amine
CID 106583133
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,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
N-(1-methoxypropan-2-yl)-1-[1-(oxolan-3-yl)ethyl]imidazol-2-amine
CID 106582613
ethyl 4-[2-(propan-2-ylamino)imidazol-1-yl]piperidine-1-carboxylate
CID 106560654
N-(1-methoxypropan-2-yl)-1-(3-methylbutyl)imidazol-2-amine
CID 106557283
N-(1-methoxypropan-2-yl)-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560082
N-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)imidazol-2-amine
CID 106561605
N-(1-methoxypropan-2-yl)-4-methyl-1-(1-methylpiperidin-4-yl)imidazol-2-amine
CID 106561591

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-1-(1-oxothian-4-yl)imidazol-2-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-1-(1-oxothian-4-yl)imidazol-2-amine (CID 106580407) is N-(1-methoxypropan-2-yl)-1-(1-oxothian-4-yl)imidazol-2-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-1-(1-oxothian-4-yl)imidazol-2-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-1-(1-oxothian-4-yl)imidazol-2-amine is COCC(C)Nc1nccn1C1CCS(=O)CC1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-1-(1-oxothian-4-yl)imidazol-2-amine?
The InChIKey is JDJDBSLQXUJBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-10(9-17-2)14-12-13-5-6-15(12)11-3-7-18(16)8-4-11/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,13,14).
What are the key properties of N-(1-methoxypropan-2-yl)-1-(1-oxothian-4-yl)imidazol-2-amine?
N-(1-methoxypropan-2-yl)-1-(1-oxothian-4-yl)imidazol-2-amine has a molecular weight of 271.39 g/mol, XLogP of 1.41, 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-(1-oxothian-4-yl)imidazol-2-amine is sourced from PubChem (CID 106580407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).