sodium;tert-butyl N-cyclopentylcarbamate;2H-[1,3]thiazolo[5,4-b]pyridin-2-ide

C16H22N3NaO2S — CID 177336232

IUPACsodium;tert-butyl N-cyclopentylcarbamate;2H-[1,3]thiazolo[5,4-b]pyridin-2-ide
SMILESCC(C)(C)OC(=O)NC1CCCC1.[Na+].[c-]1nc2cccnc2s1
InChIInChI=1S/C10H19NO2.C6H3N2S.Na/c1-10(2,3)13-9(12)11-8-6-4-5-7-8;1-2-5-6(7-3-1)9-4-8-5;/h8H,4-7H2,1-3H3,(H,11,12);1-3H;/q;-1;+1
InChIKeyNFRBUBQOUWKGRS-UHFFFAOYSA-N
MW343.43 g/mol
LogP0.95
Rot. Bonds1

About sodium;tert-butyl N-cyclopentylcarbamate;2H-[1,3]thiazolo[5,4-b]pyridin-2-ide

sodium;tert-butyl N-cyclopentylcarbamate;2H-[1,3]thiazolo[5,4-b]pyridin-2-ide (PubChem CID 177336232) has the molecular formula C16H22N3NaO2S and a molecular weight of 343.43 g/mol. Its IUPAC name is sodium;tert-butyl N-cyclopentylcarbamate;2H-[1,3]thiazolo[5,4-b]pyridin-2-ide.

Molecular Properties

Compound Namesodium;tert-butyl N-cyclopentylcarbamate;2H-[1,3]thiazolo[5,4-b]pyridin-2-ide
PubChem CID177336232
Molecular FormulaC16H22N3NaO2S
Molecular Weight343.43 g/mol
Exact Mass343.13
IUPAC Namesodium;tert-butyl N-cyclopentylcarbamate;2H-[1,3]thiazolo[5,4-b]pyridin-2-ide
SMILESCC(C)(C)OC(=O)NC1CCCC1.[Na+].[c-]1nc2cccnc2s1
InChIInChI=1S/C10H19NO2.C6H3N2S.Na/c1-10(2,3)13-9(12)11-8-6-4-5-7-8;1-2-5-6(7-3-1)9-4-8-5;/h8H,4-7H2,1-3H3,(H,11,12);1-3H;/q;-1;+1
InChIKeyNFRBUBQOUWKGRS-UHFFFAOYSA-N
XLogP0.95
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[4-(pyridine-2-carbonylamino)cyclohexyl]carbamate
CID 86277343
tert-butyl N-[(1S,3R)-3-(pyrimidin-2-ylamino)cyclohexyl]carbamate
CID 99620412
tert-butyl N-[(3R)-1-(2-chloropyrido[3,2-d]pyrimidin-4-yl)piperidin-3-yl]carbamate
CID 131746892
tert-butyl N-[4-[(3-methyl-2-pyridinyl)methylamino]cyclohexyl]carbamate
CID 58997040
tert-butyl N-[3-[(2-chloro-3-pyridinyl)amino]cyclobutyl]carbamate
CID 80559539
tert-butyl N-(1-quinoxalin-2-ylpiperidin-4-yl)carbamate
CID 71632141
tert-butyl N-(2-thieno[2,3-b]pyridin-3-ylcyclopent-2-en-1-yl)carbamate
CID 139629976
tert-butyl N-[1-(3-chloroquinolin-4-yl)piperidin-4-yl]carbamate
CID 139326760
tert-butyl N-piperidin-4-ylcarbamate;pyridin-2-amine
CID 174858928
tert-butyl N-[2-(pyridine-2-carbonylamino)cyclohexyl]carbamate
CID 22986749
tert-butyl N-(5,6,7,8-tetrahydroquinolin-5-yl)carbamate
CID 121334667
tert-butyl N-[4-(2-pyridin-2-ylethylamino)cyclohexyl]carbamate
CID 68885257

Frequently Asked Questions

What is the IUPAC name of sodium;tert-butyl N-cyclopentylcarbamate;2H-[1,3]thiazolo[5,4-b]pyridin-2-ide?
The IUPAC name of sodium;tert-butyl N-cyclopentylcarbamate;2H-[1,3]thiazolo[5,4-b]pyridin-2-ide (CID 177336232) is sodium;tert-butyl N-cyclopentylcarbamate;2H-[1,3]thiazolo[5,4-b]pyridin-2-ide.
What is the SMILES notation for sodium;tert-butyl N-cyclopentylcarbamate;2H-[1,3]thiazolo[5,4-b]pyridin-2-ide?
The canonical SMILES for sodium;tert-butyl N-cyclopentylcarbamate;2H-[1,3]thiazolo[5,4-b]pyridin-2-ide is CC(C)(C)OC(=O)NC1CCCC1.[Na+].[c-]1nc2cccnc2s1.
What is the InChIKey of sodium;tert-butyl N-cyclopentylcarbamate;2H-[1,3]thiazolo[5,4-b]pyridin-2-ide?
The InChIKey is NFRBUBQOUWKGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C6H3N2S.Na/c1-10(2,3)13-9(12)11-8-6-4-5-7-8;1-2-5-6(7-3-1)9-4-8-5;/h8H,4-7H2,1-3H3,(H,11,12);1-3H;/q;-1;+1.
What are the key properties of sodium;tert-butyl N-cyclopentylcarbamate;2H-[1,3]thiazolo[5,4-b]pyridin-2-ide?
sodium;tert-butyl N-cyclopentylcarbamate;2H-[1,3]thiazolo[5,4-b]pyridin-2-ide has a molecular weight of 343.43 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;tert-butyl N-cyclopentylcarbamate;2H-[1,3]thiazolo[5,4-b]pyridin-2-ide is sourced from PubChem (CID 177336232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).