N-(1,4-dithian-2-ylmethyl)-1-propan-2-ylimidazol-2-amine

C11H19N3S2 — CID 106580111

IUPACN-(1,4-dithian-2-ylmethyl)-1-propan-2-ylimidazol-2-amine
SMILESCC(C)n1ccnc1NCC1CSCCS1
InChIInChI=1S/C11H19N3S2/c1-9(2)14-4-3-12-11(14)13-7-10-8-15-5-6-16-10/h3-4,9-10H,5-8H2,1-2H3,(H,12,13)
InChIKeyTWMKQTXCOGRJNM-UHFFFAOYSA-N
MW257.43 g/mol
LogP2.72
Rot. Bonds4

About N-(1,4-dithian-2-ylmethyl)-1-propan-2-ylimidazol-2-amine

N-(1,4-dithian-2-ylmethyl)-1-propan-2-ylimidazol-2-amine (PubChem CID 106580111) has the molecular formula C11H19N3S2 and a molecular weight of 257.43 g/mol. Its IUPAC name is N-(1,4-dithian-2-ylmethyl)-1-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound NameN-(1,4-dithian-2-ylmethyl)-1-propan-2-ylimidazol-2-amine
PubChem CID106580111
Molecular FormulaC11H19N3S2
Molecular Weight257.43 g/mol
Exact Mass257.10
IUPAC NameN-(1,4-dithian-2-ylmethyl)-1-propan-2-ylimidazol-2-amine
SMILESCC(C)n1ccnc1NCC1CSCCS1
InChIInChI=1S/C11H19N3S2/c1-9(2)14-4-3-12-11(14)13-7-10-8-15-5-6-16-10/h3-4,9-10H,5-8H2,1-2H3,(H,12,13)
InChIKeyTWMKQTXCOGRJNM-UHFFFAOYSA-N
XLogP2.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,4-dithian-2-ylmethyl)-N-propan-2-ylimidazol-2-amine
CID 106580102
N-(oxan-4-ylmethyl)-1-propan-2-ylimidazol-2-amine
CID 106572421
N-(piperidin-4-ylmethyl)-1-propan-2-ylimidazol-2-amine
CID 115033628
N-cyclopropyl-1-(1,4-dithian-2-ylmethyl)imidazol-2-amine
CID 106580126
1-(1,4-dithian-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 115685248
N-(1,4-dithian-2-ylmethyl)imidazo[1,2-a]pyridin-5-amine
CID 102625824
N-(1,4-dithian-2-ylmethyl)pyridin-2-amine
CID 115685335
N-(piperidin-2-ylmethyl)-1-propan-2-ylimidazol-2-amine
CID 115033626
N-(2-cyclohexylethyl)-1-propan-2-ylimidazol-2-amine
CID 106563351
N-(1,4-dithian-2-ylmethyl)-6-methylpyrimidin-4-amine
CID 115689494
3-(1,4-dithian-2-ylmethylamino)-1H-pyrazin-2-one
CID 115689484
N-(1,4-dithian-2-ylmethyl)-4-methoxypyrimidin-2-amine
CID 115689528

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dithian-2-ylmethyl)-1-propan-2-ylimidazol-2-amine?
The IUPAC name of N-(1,4-dithian-2-ylmethyl)-1-propan-2-ylimidazol-2-amine (CID 106580111) is N-(1,4-dithian-2-ylmethyl)-1-propan-2-ylimidazol-2-amine.
What is the SMILES notation for N-(1,4-dithian-2-ylmethyl)-1-propan-2-ylimidazol-2-amine?
The canonical SMILES for N-(1,4-dithian-2-ylmethyl)-1-propan-2-ylimidazol-2-amine is CC(C)n1ccnc1NCC1CSCCS1.
What is the InChIKey of N-(1,4-dithian-2-ylmethyl)-1-propan-2-ylimidazol-2-amine?
The InChIKey is TWMKQTXCOGRJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S2/c1-9(2)14-4-3-12-11(14)13-7-10-8-15-5-6-16-10/h3-4,9-10H,5-8H2,1-2H3,(H,12,13).
What are the key properties of N-(1,4-dithian-2-ylmethyl)-1-propan-2-ylimidazol-2-amine?
N-(1,4-dithian-2-ylmethyl)-1-propan-2-ylimidazol-2-amine has a molecular weight of 257.43 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dithian-2-ylmethyl)-1-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106580111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).