N-[[2-(3-methylbutan-2-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]propan-2-amine

C16H25N3S — CID 107761569

IUPACN-[[2-(3-methylbutan-2-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1c(SC(C)C(C)C)nc2ccccn12
InChIInChI=1S/C16H25N3S/c1-11(2)13(5)20-16-14(10-17-12(3)4)19-9-7-6-8-15(19)18-16/h6-9,11-13,17H,10H2,1-5H3
InChIKeyXIUFIDQZHNRNPU-UHFFFAOYSA-N
MW291.46 g/mol
LogP3.97
Rot. Bonds6

About N-[[2-(3-methylbutan-2-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]propan-2-amine

N-[[2-(3-methylbutan-2-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]propan-2-amine (PubChem CID 107761569) has the molecular formula C16H25N3S and a molecular weight of 291.46 g/mol. Its IUPAC name is N-[[2-(3-methylbutan-2-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-methylbutan-2-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]propan-2-amine
PubChem CID107761569
Molecular FormulaC16H25N3S
Molecular Weight291.46 g/mol
Exact Mass291.18
IUPAC NameN-[[2-(3-methylbutan-2-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1c(SC(C)C(C)C)nc2ccccn12
InChIInChI=1S/C16H25N3S/c1-11(2)13(5)20-16-14(10-17-12(3)4)19-9-7-6-8-15(19)18-16/h6-9,11-13,17H,10H2,1-5H3
InChIKeyXIUFIDQZHNRNPU-UHFFFAOYSA-N
XLogP3.97
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(3-methylbutan-2-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-methyl-1-(2-methylsulfanylimidazo[1,2-a]pyridin-3-yl)methanamine
CID 63814200
N-[(2-butan-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine
CID 63805879
N-ethyl-N-(2-methylpropyl)-3-[(propan-2-ylamino)methyl]imidazo[1,2-a]pyridin-2-amine
CID 43478462
N-butyl-N-methyl-3-[(propan-2-ylamino)methyl]imidazo[1,2-a]pyridin-2-amine
CID 43478259
N-[[2-(3,5-dimethylpyrazol-1-yl)imidazo[1,2-a]pyridin-3-yl]methyl]propan-2-amine
CID 43478567
N-(cyclopropylmethyl)-N-methyl-3-[(propan-2-ylamino)methyl]imidazo[1,2-a]pyridin-2-amine
CID 60985016
N-[[2-(1-methylpyrazol-4-yl)oxyimidazo[1,2-a]pyridin-3-yl]methyl]propan-2-amine
CID 116793096
3-[3-[(2-methoxyethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]sulfanylbutan-1-ol
CID 66136871
1-[2-(3-chlorophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
CID 63808260
1-N,1-N,3-trimethyl-2-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]butane-1,2-diamine
CID 61476729
1-methoxy-3-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]butan-2-amine
CID 65047265
(1R)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-phenylethanamine
CID 81350884

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylbutan-2-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-methylbutan-2-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]propan-2-amine (CID 107761569) is N-[[2-(3-methylbutan-2-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-methylbutan-2-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-methylbutan-2-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]propan-2-amine is CC(C)NCc1c(SC(C)C(C)C)nc2ccccn12.
What is the InChIKey of N-[[2-(3-methylbutan-2-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]propan-2-amine?
The InChIKey is XIUFIDQZHNRNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S/c1-11(2)13(5)20-16-14(10-17-12(3)4)19-9-7-6-8-15(19)18-16/h6-9,11-13,17H,10H2,1-5H3.
What are the key properties of N-[[2-(3-methylbutan-2-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]propan-2-amine?
N-[[2-(3-methylbutan-2-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]propan-2-amine has a molecular weight of 291.46 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methylbutan-2-ylsulfanyl)imidazo[1,2-a]pyridin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 107761569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).