2-(3-methylthiophen-2-yl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine

C20H27N3S — CID 42741207

IUPAC2-(3-methylthiophen-2-yl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccsc1-c1nc2ccccn2c1NC(C)(C)CC(C)(C)C
InChIInChI=1S/C20H27N3S/c1-14-10-12-24-17(14)16-18(22-20(5,6)13-19(2,3)4)23-11-8-7-9-15(23)21-16/h7-12,22H,13H2,1-6H3
InChIKeySPDKLCKMYSSSAK-UHFFFAOYSA-N
MW341.52 g/mol
LogP6.00
Rot. Bonds4

About 2-(3-methylthiophen-2-yl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine

2-(3-methylthiophen-2-yl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 42741207) has the molecular formula C20H27N3S and a molecular weight of 341.52 g/mol. Its IUPAC name is 2-(3-methylthiophen-2-yl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(3-methylthiophen-2-yl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
PubChem CID42741207
Molecular FormulaC20H27N3S
Molecular Weight341.52 g/mol
Exact Mass341.19
IUPAC Name2-(3-methylthiophen-2-yl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccsc1-c1nc2ccccn2c1NC(C)(C)CC(C)(C)C
InChIInChI=1S/C20H27N3S/c1-14-10-12-24-17(14)16-18(22-20(5,6)13-19(2,3)4)23-11-8-7-9-15(23)21-16/h7-12,22H,13H2,1-6H3
InChIKeySPDKLCKMYSSSAK-UHFFFAOYSA-N
XLogP6.00
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.52
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 809322
2-(10-chloroanthracen-9-yl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 71461780
2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 63619127
[2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] thiophene-2-carboxylate
CID 3693521
N-tert-butyl-6-methyl-2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 809305
[2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 4-chlorobenzoate
CID 4659736
[2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3-phenylpropanoate
CID 3488130
N',N'-dimethyl-N-[10-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]anthracen-9-yl]propane-1,3-diamine
CID 71452866
[2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2-methoxybenzoate
CID 5111233
[2-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 3,4-dichlorobenzoate
CID 4574459
2-(furan-2-yl)-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 809499
2-(4-fluorophenyl)-N-(2-methylbutan-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 858021

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylthiophen-2-yl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-(3-methylthiophen-2-yl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine (CID 42741207) is 2-(3-methylthiophen-2-yl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-(3-methylthiophen-2-yl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-(3-methylthiophen-2-yl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine is Cc1ccsc1-c1nc2ccccn2c1NC(C)(C)CC(C)(C)C.
What is the InChIKey of 2-(3-methylthiophen-2-yl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is SPDKLCKMYSSSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3S/c1-14-10-12-24-17(14)16-18(22-20(5,6)13-19(2,3)4)23-11-8-7-9-15(23)21-16/h7-12,22H,13H2,1-6H3.
What are the key properties of 2-(3-methylthiophen-2-yl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine?
2-(3-methylthiophen-2-yl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 341.52 g/mol, XLogP of 6.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylthiophen-2-yl)-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 42741207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).