methyl N-(6-propylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate

C12H15N3O2S — CID 13015407

IUPACmethyl N-(6-propylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate
SMILESCCCSc1ccc2nc(NC(=O)OC)cn2c1
InChIInChI=1S/C12H15N3O2S/c1-3-6-18-9-4-5-11-13-10(8-15(11)7-9)14-12(16)17-2/h4-5,7-8H,3,6H2,1-2H3,(H,14,16)
InChIKeyHXSONEIRTIHZTJ-UHFFFAOYSA-N
MW265.34 g/mol
LogP3.01
Rot. Bonds4

About methyl N-(6-propylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate

methyl N-(6-propylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate (PubChem CID 13015407) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is methyl N-(6-propylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(6-propylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate
PubChem CID13015407
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Namemethyl N-(6-propylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate
SMILESCCCSc1ccc2nc(NC(=O)OC)cn2c1
InChIInChI=1S/C12H15N3O2S/c1-3-6-18-9-4-5-11-13-10(8-15(11)7-9)14-12(16)17-2/h4-5,7-8H,3,6H2,1-2H3,(H,14,16)
InChIKeyHXSONEIRTIHZTJ-UHFFFAOYSA-N
XLogP3.01
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-Ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonylurea
CID 91103679
Ulfosulfuron guanidine
CID 101134254
Sulfonylbiuret
CID 139594334
2-((Imidazo[1,2-a]pyridin-2-ylmethyl)thio)aniline
CID 699701
2-(((5-Methylimidazo[1,2-a]pyridin-2-yl)methyl)thio)aniline
CID 3122810
Methyl 6-(phenylsulfinyl)imidazo(1,2-a)pyridine-2-carbamate
CID 191716
Methyl 6-(1,2,2-trichloroethenyl)imidazo(1,2-a)pyridine-2-carbamate
CID 194419
Carbamic acid, (7-(phenylthio)imidazo(1,2-a)pyridin-2-yl)-,methyl ester
CID 329368
Methyl [6-(phenylsulfanyl)imidazo[1,2-a]pyridin-2-yl]carbamate
CID 12414300
Methyl imidazo[1,2-a]pyridin-2-ylcarbamate
CID 12414302
1-Cyano-2-methyl-3-[2-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]ethyl]guanidine
CID 12790143
methyl N-(8-phenylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate
CID 13015366

Frequently Asked Questions

What is the IUPAC name of methyl N-(6-propylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate?
The IUPAC name of methyl N-(6-propylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate (CID 13015407) is methyl N-(6-propylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate.
What is the SMILES notation for methyl N-(6-propylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate?
The canonical SMILES for methyl N-(6-propylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate is CCCSc1ccc2nc(NC(=O)OC)cn2c1.
What is the InChIKey of methyl N-(6-propylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate?
The InChIKey is HXSONEIRTIHZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-3-6-18-9-4-5-11-13-10(8-15(11)7-9)14-12(16)17-2/h4-5,7-8H,3,6H2,1-2H3,(H,14,16).
What are the key properties of methyl N-(6-propylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate?
methyl N-(6-propylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate has a molecular weight of 265.34 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(6-propylsulfanylimidazo[1,2-a]pyridin-2-yl)carbamate is sourced from PubChem (CID 13015407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).