N-[(1-ethylimidazol-2-yl)methyl]thian-4-amine

C11H19N3S — CID 115641638

IUPACN-[(1-ethylimidazol-2-yl)methyl]thian-4-amine
SMILESCCn1ccnc1CNC1CCSCC1
InChIInChI=1S/C11H19N3S/c1-2-14-6-5-12-11(14)9-13-10-3-7-15-8-4-10/h5-6,10,13H,2-4,7-9H2,1H3
InChIKeyFCBNCXYQGDUAGK-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.89
Rot. Bonds4

About N-[(1-ethylimidazol-2-yl)methyl]thian-4-amine

N-[(1-ethylimidazol-2-yl)methyl]thian-4-amine (PubChem CID 115641638) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]thian-4-amine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]thian-4-amine
PubChem CID115641638
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]thian-4-amine
SMILESCCn1ccnc1CNC1CCSCC1
InChIInChI=1S/C11H19N3S/c1-2-14-6-5-12-11(14)9-13-10-3-7-15-8-4-10/h5-6,10,13H,2-4,7-9H2,1H3
InChIKeyFCBNCXYQGDUAGK-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-N-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine
CID 62350120
N-[(1-ethylimidazol-2-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 112568401
N-[(1-ethylimidazol-2-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471784
5-[(1-ethylimidazol-2-yl)methylamino]piperidin-2-one
CID 63661533
N-[(1-ethylimidazol-2-yl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64910386
N-[(1-butylimidazol-2-yl)methyl]cyclohexanamine
CID 46784421
N-[(1-octylimidazol-2-yl)methyl]cyclopropanamine
CID 55048995
N-cyclopentyloxy-1-(1-ethylimidazol-2-yl)methanamine
CID 83229115
N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine
CID 62957533
N-[[2-[(1-ethylimidazol-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81033575
N-[[1-(3-methylbutyl)imidazol-2-yl]methyl]cyclopropanamine
CID 62223232
1-benzyl-N-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 62357775

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]thian-4-amine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]thian-4-amine (CID 115641638) is N-[(1-ethylimidazol-2-yl)methyl]thian-4-amine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]thian-4-amine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]thian-4-amine is CCn1ccnc1CNC1CCSCC1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]thian-4-amine?
The InChIKey is FCBNCXYQGDUAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-2-14-6-5-12-11(14)9-13-10-3-7-15-8-4-10/h5-6,10,13H,2-4,7-9H2,1H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]thian-4-amine?
N-[(1-ethylimidazol-2-yl)methyl]thian-4-amine has a molecular weight of 225.36 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]thian-4-amine is sourced from PubChem (CID 115641638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).