2-isocyanato-[1,3]thiazolo[5,4-b]pyridine

C7H3N3OS — CID 83383020

IUPAC2-isocyanato-[1,3]thiazolo[5,4-b]pyridine
SMILESO=C=Nc1nc2cccnc2s1
InChIInChI=1S/C7H3N3OS/c11-4-9-7-10-5-2-1-3-8-6(5)12-7/h1-3H
InChIKeyAOSIGBVCODJTAZ-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.66
Rot. Bonds1

About 2-isocyanato-[1,3]thiazolo[5,4-b]pyridine

2-isocyanato-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 83383020) has the molecular formula C7H3N3OS and a molecular weight of 177.19 g/mol. Its IUPAC name is 2-isocyanato-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-isocyanato-[1,3]thiazolo[5,4-b]pyridine
PubChem CID83383020
Molecular FormulaC7H3N3OS
Molecular Weight177.19 g/mol
Exact Mass177.00
IUPAC Name2-isocyanato-[1,3]thiazolo[5,4-b]pyridine
SMILESO=C=Nc1nc2cccnc2s1
InChIInChI=1S/C7H3N3OS/c11-4-9-7-10-5-2-1-3-8-6(5)12-7/h1-3H
InChIKeyAOSIGBVCODJTAZ-UHFFFAOYSA-N
XLogP1.66
TPSA55.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Related Compounds

trimethyl([1,3]thiazolo[5,4-b]pyridin-2-yl)stannane
CID 143914856
CID 177336385
CID 177336385
2-methylsulfinyl-[1,3]thiazolo[5,4-b]pyridine
CID 15035747
2-[3-[3,5-bis[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine
CID 23391283
N,N-dichloro-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 89124498
methane;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
CID 160984221
1-([1,3]thiazolo[5,4-b]pyridin-2-yl)propan-1-amine
CID 65335679
(1S)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)ethanamine
CID 82409431
7-isocyanatoquinoline
CID 164643475
2-isocyanato-4,5-dimethyl-1,3-thiazole
CID 23062273
3-chloro-2-isocyanatopyridine
CID 83914112
2-methyl-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)propan-1-amine
CID 115428036

Frequently Asked Questions

What is the IUPAC name of 2-isocyanato-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-isocyanato-[1,3]thiazolo[5,4-b]pyridine (CID 83383020) is 2-isocyanato-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2-isocyanato-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-isocyanato-[1,3]thiazolo[5,4-b]pyridine is O=C=Nc1nc2cccnc2s1.
What is the InChIKey of 2-isocyanato-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is AOSIGBVCODJTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3N3OS/c11-4-9-7-10-5-2-1-3-8-6(5)12-7/h1-3H.
What are the key properties of 2-isocyanato-[1,3]thiazolo[5,4-b]pyridine?
2-isocyanato-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 177.19 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isocyanato-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 83383020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).