propan-2-yl N-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)carbamate;hydrochloride

C13H18ClN3O2S — CID 23362877

IUPACpropan-2-yl N-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)carbamate;hydrochloride
SMILESCC(C)OC(=O)NCCSc1cccc2nccn12.Cl
InChIInChI=1S/C13H17N3O2S.ClH/c1-10(2)18-13(17)15-7-9-19-12-5-3-4-11-14-6-8-16(11)12;/h3-6,8,10H,7,9H2,1-2H3,(H,15,17);1H
InChIKeyAPAGPGJEMVDFGR-UHFFFAOYSA-N
MW315.83 g/mol
LogP2.98
Rot. Bonds5

About propan-2-yl N-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)carbamate;hydrochloride

propan-2-yl N-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)carbamate;hydrochloride (PubChem CID 23362877) has the molecular formula C13H18ClN3O2S and a molecular weight of 315.83 g/mol. Its IUPAC name is propan-2-yl N-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)carbamate;hydrochloride.

Molecular Properties

Compound Namepropan-2-yl N-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)carbamate;hydrochloride
PubChem CID23362877
Molecular FormulaC13H18ClN3O2S
Molecular Weight315.83 g/mol
Exact Mass315.08
IUPAC Namepropan-2-yl N-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)carbamate;hydrochloride
SMILESCC(C)OC(=O)NCCSc1cccc2nccn12.Cl
InChIInChI=1S/C13H17N3O2S.ClH/c1-10(2)18-13(17)15-7-9-19-12-5-3-4-11-14-6-8-16(11)12;/h3-6,8,10H,7,9H2,1-2H3,(H,15,17);1H
InChIKeyAPAGPGJEMVDFGR-UHFFFAOYSA-N
XLogP2.98
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.83
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-3-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)urea
CID 54311280
N-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)pyridine-3-carboxamide
CID 23362816
N-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)-3-pyridin-3-ylprop-2-enamide;dihydrochloride
CID 67745966
2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl N-(pyridin-2-ylmethyl)carbamate
CID 67745982
2-imidazo[1,2-a]pyridin-5-ylsulfanyl-N,N-dimethylethanamine
CID 76849265
2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl N-methyl-N-pyridin-4-ylcarbamate
CID 67794030
2-imidazo[1,2-a]pyridin-5-ylsulfanyl-2-methylpropanoic acid
CID 102625233
(5Z)-5-ethylidene-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-oxazolidine-2,4-dione;hydrochloride
CID 70202595
5-(ethylsulfanylmethylidene)-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-thiazolidine-2,4-dione;hydrochloride
CID 73472911
2-(imidazo[1,2-a]pyridin-5-ylamino)propan-1-ol
CID 102625375
(5E)-5-hexylidene-3-(4-imidazo[1,2-a]pyridin-5-ylsulfanylbutyl)-1,3-thiazolidine-2,4-dione;hydrochloride
CID 18936705
N-[3-(imidazo[1,2-a]pyridin-5-ylsulfanylmethyl)phenyl]methanesulfonamide
CID 139888929

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)carbamate;hydrochloride?
The IUPAC name of propan-2-yl N-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)carbamate;hydrochloride (CID 23362877) is propan-2-yl N-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)carbamate;hydrochloride.
What is the SMILES notation for propan-2-yl N-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)carbamate;hydrochloride?
The canonical SMILES for propan-2-yl N-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)carbamate;hydrochloride is CC(C)OC(=O)NCCSc1cccc2nccn12.Cl.
What is the InChIKey of propan-2-yl N-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)carbamate;hydrochloride?
The InChIKey is APAGPGJEMVDFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S.ClH/c1-10(2)18-13(17)15-7-9-19-12-5-3-4-11-14-6-8-16(11)12;/h3-6,8,10H,7,9H2,1-2H3,(H,15,17);1H.
What are the key properties of propan-2-yl N-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)carbamate;hydrochloride?
propan-2-yl N-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)carbamate;hydrochloride has a molecular weight of 315.83 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)carbamate;hydrochloride is sourced from PubChem (CID 23362877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).