tert-butyl N-(6-tert-butylsulfanyl-7-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl)carbamate

C18H27N3O3S — CID 172631847

IUPACtert-butyl N-(6-tert-butylsulfanyl-7-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl)carbamate
SMILESCOc1cc2nc(NC(=O)OC(C)(C)C)c(C)n2cc1SC(C)(C)C
InChIInChI=1S/C18H27N3O3S/c1-11-15(20-16(22)24-17(2,3)4)19-14-9-12(23-8)13(10-21(11)14)25-18(5,6)7/h9-10H,1-8H3,(H,20,22)
InChIKeyOKYZDNIWLOKQLZ-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.89
Rot. Bonds3

About tert-butyl N-(6-tert-butylsulfanyl-7-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl)carbamate

tert-butyl N-(6-tert-butylsulfanyl-7-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl)carbamate (PubChem CID 172631847) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is tert-butyl N-(6-tert-butylsulfanyl-7-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-tert-butylsulfanyl-7-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl)carbamate
PubChem CID172631847
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Nametert-butyl N-(6-tert-butylsulfanyl-7-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl)carbamate
SMILESCOc1cc2nc(NC(=O)OC(C)(C)C)c(C)n2cc1SC(C)(C)C
InChIInChI=1S/C18H27N3O3S/c1-11-15(20-16(22)24-17(2,3)4)19-14-9-12(23-8)13(10-21(11)14)25-18(5,6)7/h9-10H,1-8H3,(H,20,22)
InChIKeyOKYZDNIWLOKQLZ-UHFFFAOYSA-N
XLogP4.89
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-(6-tert-butylsulfanyl-7-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl)carbamate with MolForge

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Related Compounds

[5-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]boronic acid
CID 123134912
tert-butyl N-(5-formyl-3-methoxy-2-pyridinyl)carbamate
CID 118956788
7-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
CID 178094187
2,4-dimethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 45356710
tert-butyl N-(5-methoxy-2,4-dimethyl-3-nitrophenyl)carbamate
CID 170637976
tert-butyl 4-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-nitroindazole-1-carboxylate
CID 172631902
tert-butyl N-(3-methoxy-5-methylpyrazin-2-yl)carbamate
CID 141287875
tert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate
CID 58477930
tert-butyl N-[6-(difluoromethyl)-5-methoxypyridazin-3-yl]carbamate
CID 164537024
tert-butyl N-(5-chloro-4-methoxy-2-methylphenyl)carbamate
CID 69097022
tert-butyl N-[1-(2-methoxyphenyl)triazol-4-yl]carbamate
CID 139599995
5-(6-tert-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-fluoro-3-methylaniline
CID 170616490

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-tert-butylsulfanyl-7-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl)carbamate?
The IUPAC name of tert-butyl N-(6-tert-butylsulfanyl-7-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl)carbamate (CID 172631847) is tert-butyl N-(6-tert-butylsulfanyl-7-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(6-tert-butylsulfanyl-7-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(6-tert-butylsulfanyl-7-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl)carbamate is COc1cc2nc(NC(=O)OC(C)(C)C)c(C)n2cc1SC(C)(C)C.
What is the InChIKey of tert-butyl N-(6-tert-butylsulfanyl-7-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl)carbamate?
The InChIKey is OKYZDNIWLOKQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-11-15(20-16(22)24-17(2,3)4)19-14-9-12(23-8)13(10-21(11)14)25-18(5,6)7/h9-10H,1-8H3,(H,20,22).
What are the key properties of tert-butyl N-(6-tert-butylsulfanyl-7-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl)carbamate?
tert-butyl N-(6-tert-butylsulfanyl-7-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl)carbamate has a molecular weight of 365.50 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-tert-butylsulfanyl-7-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl)carbamate is sourced from PubChem (CID 172631847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).