4-methyl-1-propyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine

C12H18N4S — CID 106572643

IUPAC4-methyl-1-propyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine
SMILESCCCn1cc(C)nc1NCCc1cscn1
InChIInChI=1S/C12H18N4S/c1-3-6-16-7-10(2)15-12(16)13-5-4-11-8-17-9-14-11/h7-9H,3-6H2,1-2H3,(H,13,15)
InChIKeyMECKKEZMEHFZRE-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.71
Rot. Bonds6

About 4-methyl-1-propyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine

4-methyl-1-propyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine (PubChem CID 106572643) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 4-methyl-1-propyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-propyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine
PubChem CID106572643
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name4-methyl-1-propyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine
SMILESCCCn1cc(C)nc1NCCc1cscn1
InChIInChI=1S/C12H18N4S/c1-3-6-16-7-10(2)15-12(16)13-5-4-11-8-17-9-14-11/h7-9H,3-6H2,1-2H3,(H,13,15)
InChIKeyMECKKEZMEHFZRE-UHFFFAOYSA-N
XLogP2.71
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine?
The IUPAC name of 4-methyl-1-propyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine (CID 106572643) is 4-methyl-1-propyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine.
What is the SMILES notation for 4-methyl-1-propyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine?
The canonical SMILES for 4-methyl-1-propyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine is CCCn1cc(C)nc1NCCc1cscn1.
What is the InChIKey of 4-methyl-1-propyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine?
The InChIKey is MECKKEZMEHFZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-3-6-16-7-10(2)15-12(16)13-5-4-11-8-17-9-14-11/h7-9H,3-6H2,1-2H3,(H,13,15).
What are the key properties of 4-methyl-1-propyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine?
4-methyl-1-propyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine has a molecular weight of 250.37 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine is sourced from PubChem (CID 106572643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).