N,4-dimethyl-1-(thian-2-ylmethyl)imidazol-2-amine

C11H19N3S — CID 106577109

IUPACN,4-dimethyl-1-(thian-2-ylmethyl)imidazol-2-amine
SMILESCNc1nc(C)cn1CC1CCCCS1
InChIInChI=1S/C11H19N3S/c1-9-7-14(11(12-2)13-9)8-10-5-3-4-6-15-10/h7,10H,3-6,8H2,1-2H3,(H,12,13)
InChIKeyFCKCPGPBKFBVQW-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.52
Rot. Bonds3

About N,4-dimethyl-1-(thian-2-ylmethyl)imidazol-2-amine

N,4-dimethyl-1-(thian-2-ylmethyl)imidazol-2-amine (PubChem CID 106577109) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N,4-dimethyl-1-(thian-2-ylmethyl)imidazol-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-1-(thian-2-ylmethyl)imidazol-2-amine
PubChem CID106577109
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN,4-dimethyl-1-(thian-2-ylmethyl)imidazol-2-amine
SMILESCNc1nc(C)cn1CC1CCCCS1
InChIInChI=1S/C11H19N3S/c1-9-7-14(11(12-2)13-9)8-10-5-3-4-6-15-10/h7,10H,3-6,8H2,1-2H3,(H,12,13)
InChIKeyFCKCPGPBKFBVQW-UHFFFAOYSA-N
XLogP2.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.52
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-(thian-2-ylmethyl)imidazol-2-amine?
The IUPAC name of N,4-dimethyl-1-(thian-2-ylmethyl)imidazol-2-amine (CID 106577109) is N,4-dimethyl-1-(thian-2-ylmethyl)imidazol-2-amine.
What is the SMILES notation for N,4-dimethyl-1-(thian-2-ylmethyl)imidazol-2-amine?
The canonical SMILES for N,4-dimethyl-1-(thian-2-ylmethyl)imidazol-2-amine is CNc1nc(C)cn1CC1CCCCS1.
What is the InChIKey of N,4-dimethyl-1-(thian-2-ylmethyl)imidazol-2-amine?
The InChIKey is FCKCPGPBKFBVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-9-7-14(11(12-2)13-9)8-10-5-3-4-6-15-10/h7,10H,3-6,8H2,1-2H3,(H,12,13).
What are the key properties of N,4-dimethyl-1-(thian-2-ylmethyl)imidazol-2-amine?
N,4-dimethyl-1-(thian-2-ylmethyl)imidazol-2-amine has a molecular weight of 225.36 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1-(thian-2-ylmethyl)imidazol-2-amine is sourced from PubChem (CID 106577109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).