N,4-dimethyl-1-(thiolan-3-yl)imidazol-2-amine

C9H15N3S — CID 106583129

IUPACN,4-dimethyl-1-(thiolan-3-yl)imidazol-2-amine
SMILESCNc1nc(C)cn1C1CCSC1
InChIInChI=1S/C9H15N3S/c1-7-5-12(9(10-2)11-7)8-3-4-13-6-8/h5,8H,3-4,6H2,1-2H3,(H,10,11)
InChIKeyCUNBMQYEDCNOHN-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.91
Rot. Bonds2

About N,4-dimethyl-1-(thiolan-3-yl)imidazol-2-amine

N,4-dimethyl-1-(thiolan-3-yl)imidazol-2-amine (PubChem CID 106583129) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is N,4-dimethyl-1-(thiolan-3-yl)imidazol-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-1-(thiolan-3-yl)imidazol-2-amine
PubChem CID106583129
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC NameN,4-dimethyl-1-(thiolan-3-yl)imidazol-2-amine
SMILESCNc1nc(C)cn1C1CCSC1
InChIInChI=1S/C9H15N3S/c1-7-5-12(9(10-2)11-7)8-3-4-13-6-8/h5,8H,3-4,6H2,1-2H3,(H,10,11)
InChIKeyCUNBMQYEDCNOHN-UHFFFAOYSA-N
XLogP1.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1-(thiolan-3-yl)imidazol-2-amine?
The IUPAC name of N,4-dimethyl-1-(thiolan-3-yl)imidazol-2-amine (CID 106583129) is N,4-dimethyl-1-(thiolan-3-yl)imidazol-2-amine.
What is the SMILES notation for N,4-dimethyl-1-(thiolan-3-yl)imidazol-2-amine?
The canonical SMILES for N,4-dimethyl-1-(thiolan-3-yl)imidazol-2-amine is CNc1nc(C)cn1C1CCSC1.
What is the InChIKey of N,4-dimethyl-1-(thiolan-3-yl)imidazol-2-amine?
The InChIKey is CUNBMQYEDCNOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-7-5-12(9(10-2)11-7)8-3-4-13-6-8/h5,8H,3-4,6H2,1-2H3,(H,10,11).
What are the key properties of N,4-dimethyl-1-(thiolan-3-yl)imidazol-2-amine?
N,4-dimethyl-1-(thiolan-3-yl)imidazol-2-amine has a molecular weight of 197.31 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1-(thiolan-3-yl)imidazol-2-amine is sourced from PubChem (CID 106583129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).