4-[3-[1-(5-methylthiophen-2-yl)ethyl]imidazol-4-yl]pyridin-2-amine

C15H16N4S — CID 114719474

IUPAC4-[3-[1-(5-methylthiophen-2-yl)ethyl]imidazol-4-yl]pyridin-2-amine
SMILESCc1ccc(C(C)n2cncc2-c2ccnc(N)c2)s1
InChIInChI=1S/C15H16N4S/c1-10-3-4-14(20-10)11(2)19-9-17-8-13(19)12-5-6-18-15(16)7-12/h3-9,11H,1-2H3,(H2,16,18)
InChIKeyVPQCINMSGMXVSN-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.51
Rot. Bonds3

About 4-[3-[1-(5-methylthiophen-2-yl)ethyl]imidazol-4-yl]pyridin-2-amine

4-[3-[1-(5-methylthiophen-2-yl)ethyl]imidazol-4-yl]pyridin-2-amine (PubChem CID 114719474) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 4-[3-[1-(5-methylthiophen-2-yl)ethyl]imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[3-[1-(5-methylthiophen-2-yl)ethyl]imidazol-4-yl]pyridin-2-amine
PubChem CID114719474
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name4-[3-[1-(5-methylthiophen-2-yl)ethyl]imidazol-4-yl]pyridin-2-amine
SMILESCc1ccc(C(C)n2cncc2-c2ccnc(N)c2)s1
InChIInChI=1S/C15H16N4S/c1-10-3-4-14(20-10)11(2)19-9-17-8-13(19)12-5-6-18-15(16)7-12/h3-9,11H,1-2H3,(H2,16,18)
InChIKeyVPQCINMSGMXVSN-UHFFFAOYSA-N
XLogP3.51
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(1-pyridin-2-ylethyl)imidazol-4-yl]pyridin-2-amine
CID 114717900
4-[3-(3-methylpentan-2-yl)imidazol-4-yl]pyridin-2-amine
CID 114718576
ethyl 2-[5-(2-amino-4-pyridinyl)imidazol-1-yl]propanoate
CID 114718853
4-[3-(4-ethylsulfanylbutan-2-yl)imidazol-4-yl]pyridin-2-amine
CID 114722647
4-[3-(2-methylbutyl)imidazol-4-yl]pyridin-2-amine
CID 114719950
4-[3-[(4,5-dimethylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-2-amine
CID 114720701
4-[3-(2,3,3-trimethylbutyl)imidazol-4-yl]pyridin-2-amine
CID 114721670
4-[3-(1-propan-2-ylpyrazol-4-yl)imidazol-4-yl]pyridin-2-amine
CID 114720076
4-(5-methyl-2-propan-2-ylpyrazol-3-yl)pyridin-2-amine
CID 70851780
4-[3-(3-propan-2-ylphenyl)imidazol-4-yl]pyridin-2-amine
CID 114717854
4-[3-(2-methyl-3-pyridinyl)imidazol-4-yl]pyridin-2-amine
CID 114721081
4-[3-(2-methylcyclopropyl)imidazol-4-yl]pyridin-2-amine
CID 114720118

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(5-methylthiophen-2-yl)ethyl]imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 4-[3-[1-(5-methylthiophen-2-yl)ethyl]imidazol-4-yl]pyridin-2-amine (CID 114719474) is 4-[3-[1-(5-methylthiophen-2-yl)ethyl]imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 4-[3-[1-(5-methylthiophen-2-yl)ethyl]imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 4-[3-[1-(5-methylthiophen-2-yl)ethyl]imidazol-4-yl]pyridin-2-amine is Cc1ccc(C(C)n2cncc2-c2ccnc(N)c2)s1.
What is the InChIKey of 4-[3-[1-(5-methylthiophen-2-yl)ethyl]imidazol-4-yl]pyridin-2-amine?
The InChIKey is VPQCINMSGMXVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-10-3-4-14(20-10)11(2)19-9-17-8-13(19)12-5-6-18-15(16)7-12/h3-9,11H,1-2H3,(H2,16,18).
What are the key properties of 4-[3-[1-(5-methylthiophen-2-yl)ethyl]imidazol-4-yl]pyridin-2-amine?
4-[3-[1-(5-methylthiophen-2-yl)ethyl]imidazol-4-yl]pyridin-2-amine has a molecular weight of 284.39 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(5-methylthiophen-2-yl)ethyl]imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 114719474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).