1-cyclopropyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine

C14H19N3S — CID 106575185

IUPAC1-cyclopropyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine
SMILESCc1ccc(CC(C)Nc2nccn2C2CC2)s1
InChIInChI=1S/C14H19N3S/c1-10(9-13-6-3-11(2)18-13)16-14-15-7-8-17(14)12-4-5-12/h3,6-8,10,12H,4-5,9H2,1-2H3,(H,15,16)
InChIKeyLEKJLFHHBGHQNY-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.63
Rot. Bonds5

About 1-cyclopropyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine

1-cyclopropyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine (PubChem CID 106575185) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-cyclopropyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine
PubChem CID106575185
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name1-cyclopropyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine
SMILESCc1ccc(CC(C)Nc2nccn2C2CC2)s1
InChIInChI=1S/C14H19N3S/c1-10(9-13-6-3-11(2)18-13)16-14-15-7-8-17(14)12-4-5-12/h3,6-8,10,12H,4-5,9H2,1-2H3,(H,15,16)
InChIKeyLEKJLFHHBGHQNY-UHFFFAOYSA-N
XLogP3.63
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine?
The IUPAC name of 1-cyclopropyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine (CID 106575185) is 1-cyclopropyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine?
The canonical SMILES for 1-cyclopropyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine is Cc1ccc(CC(C)Nc2nccn2C2CC2)s1.
What is the InChIKey of 1-cyclopropyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine?
The InChIKey is LEKJLFHHBGHQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-10(9-13-6-3-11(2)18-13)16-14-15-7-8-17(14)12-4-5-12/h3,6-8,10,12H,4-5,9H2,1-2H3,(H,15,16).
What are the key properties of 1-cyclopropyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine?
1-cyclopropyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine has a molecular weight of 261.39 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine is sourced from PubChem (CID 106575185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).