4-methyl-N-(2-methylpropyl)-1-(thian-4-ylmethyl)imidazol-2-amine

C14H25N3S — CID 106580072

IUPAC4-methyl-N-(2-methylpropyl)-1-(thian-4-ylmethyl)imidazol-2-amine
SMILESCc1cn(CC2CCSCC2)c(NCC(C)C)n1
InChIInChI=1S/C14H25N3S/c1-11(2)8-15-14-16-12(3)9-17(14)10-13-4-6-18-7-5-13/h9,11,13H,4-8,10H2,1-3H3,(H,15,16)
InChIKeyFOLHGQLYNMUHPB-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.40
Rot. Bonds5

About 4-methyl-N-(2-methylpropyl)-1-(thian-4-ylmethyl)imidazol-2-amine

4-methyl-N-(2-methylpropyl)-1-(thian-4-ylmethyl)imidazol-2-amine (PubChem CID 106580072) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 4-methyl-N-(2-methylpropyl)-1-(thian-4-ylmethyl)imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(2-methylpropyl)-1-(thian-4-ylmethyl)imidazol-2-amine
PubChem CID106580072
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name4-methyl-N-(2-methylpropyl)-1-(thian-4-ylmethyl)imidazol-2-amine
SMILESCc1cn(CC2CCSCC2)c(NCC(C)C)n1
InChIInChI=1S/C14H25N3S/c1-11(2)8-15-14-16-12(3)9-17(14)10-13-4-6-18-7-5-13/h9,11,13H,4-8,10H2,1-3H3,(H,15,16)
InChIKeyFOLHGQLYNMUHPB-UHFFFAOYSA-N
XLogP3.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylpropyl)-1-(thian-4-ylmethyl)imidazol-2-amine?
The IUPAC name of 4-methyl-N-(2-methylpropyl)-1-(thian-4-ylmethyl)imidazol-2-amine (CID 106580072) is 4-methyl-N-(2-methylpropyl)-1-(thian-4-ylmethyl)imidazol-2-amine.
What is the SMILES notation for 4-methyl-N-(2-methylpropyl)-1-(thian-4-ylmethyl)imidazol-2-amine?
The canonical SMILES for 4-methyl-N-(2-methylpropyl)-1-(thian-4-ylmethyl)imidazol-2-amine is Cc1cn(CC2CCSCC2)c(NCC(C)C)n1.
What is the InChIKey of 4-methyl-N-(2-methylpropyl)-1-(thian-4-ylmethyl)imidazol-2-amine?
The InChIKey is FOLHGQLYNMUHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-11(2)8-15-14-16-12(3)9-17(14)10-13-4-6-18-7-5-13/h9,11,13H,4-8,10H2,1-3H3,(H,15,16).
What are the key properties of 4-methyl-N-(2-methylpropyl)-1-(thian-4-ylmethyl)imidazol-2-amine?
4-methyl-N-(2-methylpropyl)-1-(thian-4-ylmethyl)imidazol-2-amine has a molecular weight of 267.44 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylpropyl)-1-(thian-4-ylmethyl)imidazol-2-amine is sourced from PubChem (CID 106580072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).