N-(thian-4-yl)-4,5-dihydro-1H-imidazol-2-amine

C8H15N3S — CID 115609026

IUPACN-(thian-4-yl)-4,5-dihydro-1H-imidazol-2-amine
SMILESC1CNC(NC2CCSCC2)=N1
InChIInChI=1S/C8H15N3S/c1-5-12-6-2-7(1)11-8-9-3-4-10-8/h7H,1-6H2,(H2,9,10,11)
InChIKeySIYUJRSXFKIKJT-UHFFFAOYSA-N
MW185.30 g/mol
LogP0.43
Rot. Bonds1

About N-(thian-4-yl)-4,5-dihydro-1H-imidazol-2-amine

N-(thian-4-yl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 115609026) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is N-(thian-4-yl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(thian-4-yl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID115609026
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC NameN-(thian-4-yl)-4,5-dihydro-1H-imidazol-2-amine
SMILESC1CNC(NC2CCSCC2)=N1
InChIInChI=1S/C8H15N3S/c1-5-12-6-2-7(1)11-8-9-3-4-10-8/h7H,1-6H2,(H2,9,10,11)
InChIKeySIYUJRSXFKIKJT-UHFFFAOYSA-N
XLogP0.43
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(4,5-dihydro-1H-imidazol-2-yl)cyclobutane-1,3-diamine
CID 114401708
N-(1,1-dioxothiolan-3-yl)-4,5-dihydro-1H-imidazol-2-amine
CID 115601230
2-(thiolan-3-ylamino)-1,4,5,6-tetrahydropyrimidin-5-ol
CID 164647864
N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dimethylpiperidin-4-amine
CID 115601370
N-cycloheptyl-N'-(4,5-dihydro-1H-imidazol-2-yl)ethane-1,2-diamine
CID 114401778
N-(thian-4-yl)pyridin-2-amine
CID 68572241
N-(1-cyclohexyl-2,2,2-trifluoroethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 54121121
N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
CID 23321012
N-(2,2-dimethylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 130914659
N-piperidin-4-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 115016981
2-chloro-N-(thian-4-yl)pyridin-3-amine
CID 43690107
(4R,12R)-4-N,12-N-bis(4,5-dihydro-1H-imidazol-2-yl)-8-phenyl-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-4,12-diamine
CID 15654568

Frequently Asked Questions

What is the IUPAC name of N-(thian-4-yl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(thian-4-yl)-4,5-dihydro-1H-imidazol-2-amine (CID 115609026) is N-(thian-4-yl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(thian-4-yl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(thian-4-yl)-4,5-dihydro-1H-imidazol-2-amine is C1CNC(NC2CCSCC2)=N1.
What is the InChIKey of N-(thian-4-yl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is SIYUJRSXFKIKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-5-12-6-2-7(1)11-8-9-3-4-10-8/h7H,1-6H2,(H2,9,10,11).
What are the key properties of N-(thian-4-yl)-4,5-dihydro-1H-imidazol-2-amine?
N-(thian-4-yl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 185.30 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thian-4-yl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 115609026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).