tert-butyl N-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)carbamate

C14H17N3O2S — CID 155375435

IUPACtert-butyl N-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cnc2scnc2c1C1CC1
InChIInChI=1S/C14H17N3O2S/c1-14(2,3)19-13(18)17-9-6-15-12-11(16-7-20-12)10(9)8-4-5-8/h6-8H,4-5H2,1-3H3,(H,17,18)
InChIKeyUTQTYKHOWUJJPD-UHFFFAOYSA-N
MW291.38 g/mol
LogP3.92
Rot. Bonds2

About tert-butyl N-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)carbamate

tert-butyl N-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)carbamate (PubChem CID 155375435) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is tert-butyl N-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)carbamate
PubChem CID155375435
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Nametert-butyl N-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cnc2scnc2c1C1CC1
InChIInChI=1S/C14H17N3O2S/c1-14(2,3)19-13(18)17-9-6-15-12-11(16-7-20-12)10(9)8-4-5-8/h6-8H,4-5H2,1-3H3,(H,17,18)
InChIKeyUTQTYKHOWUJJPD-UHFFFAOYSA-N
XLogP3.92
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 158907897
CID 158907897
tert-butyl N-[6-chloro-4-[cyclopropyl(hydroxy)methyl]-3-pyridinyl]carbamate
CID 118072382
tert-butyl N-[4-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophen-3-yl]carbamate
CID 19100804
tert-butyl N-(6-cyclopropyl-3-pyridinyl)carbamate
CID 130731444
tert-butyl N-[4-methoxy-6-(methylcarbamoyl)-3-pyridinyl]carbamate
CID 178125649
tert-butyl N-[5-(1-cyclopropylethoxy)-2-fluoro-4-pyridinyl]carbamate
CID 170730393
tert-butyl N-(2-bromo-5-hydroxy-4-pyridinyl)carbamate
CID 155702377
tert-butyl N-(5-chloro-1,3-benzothiazol-4-yl)carbamate
CID 65142628
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-(5-cyclopropyl-2-pyridinyl)carbamate;formic acid
CID 145262519
tert-butyl N-(6-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbamate
CID 114749430
3-cyclopropyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-thiazole-4-carboxylic acid
CID 165452073

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)carbamate?
The IUPAC name of tert-butyl N-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)carbamate (CID 155375435) is tert-butyl N-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)carbamate.
What is the SMILES notation for tert-butyl N-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)carbamate?
The canonical SMILES for tert-butyl N-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)carbamate is CC(C)(C)OC(=O)Nc1cnc2scnc2c1C1CC1.
What is the InChIKey of tert-butyl N-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)carbamate?
The InChIKey is UTQTYKHOWUJJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-14(2,3)19-13(18)17-9-6-15-12-11(16-7-20-12)10(9)8-4-5-8/h6-8H,4-5H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)carbamate?
tert-butyl N-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)carbamate has a molecular weight of 291.38 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)carbamate is sourced from PubChem (CID 155375435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).