3-propan-2-yl-[1,3]thiazolo[2,3-b][1,3]benzodiazepine

C14H14N2S — CID 170667184

IUPAC3-propan-2-yl-[1,3]thiazolo[2,3-b][1,3]benzodiazepine
SMILESCC(C)C1=CSC2=Nc3ccccc3C=CN12
InChIInChI=1S/C14H14N2S/c1-10(2)13-9-17-14-15-12-6-4-3-5-11(12)7-8-16(13)14/h3-10H,1-2H3
InChIKeyFJGXPCQONMIHAX-UHFFFAOYSA-N
MW242.35 g/mol
LogP4.20
Rot. Bonds1

About 3-propan-2-yl-[1,3]thiazolo[2,3-b][1,3]benzodiazepine

3-propan-2-yl-[1,3]thiazolo[2,3-b][1,3]benzodiazepine (PubChem CID 170667184) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 3-propan-2-yl-[1,3]thiazolo[2,3-b][1,3]benzodiazepine.

Molecular Properties

Compound Name3-propan-2-yl-[1,3]thiazolo[2,3-b][1,3]benzodiazepine
PubChem CID170667184
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name3-propan-2-yl-[1,3]thiazolo[2,3-b][1,3]benzodiazepine
SMILESCC(C)C1=CSC2=Nc3ccccc3C=CN12
InChIInChI=1S/C14H14N2S/c1-10(2)13-9-17-14-15-12-6-4-3-5-11(12)7-8-16(13)14/h3-10H,1-2H3
InChIKeyFJGXPCQONMIHAX-UHFFFAOYSA-N
XLogP4.20
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-[1,3]thiazolo[2,3-b][1,3]benzodiazepine?
The IUPAC name of 3-propan-2-yl-[1,3]thiazolo[2,3-b][1,3]benzodiazepine (CID 170667184) is 3-propan-2-yl-[1,3]thiazolo[2,3-b][1,3]benzodiazepine.
What is the SMILES notation for 3-propan-2-yl-[1,3]thiazolo[2,3-b][1,3]benzodiazepine?
The canonical SMILES for 3-propan-2-yl-[1,3]thiazolo[2,3-b][1,3]benzodiazepine is CC(C)C1=CSC2=Nc3ccccc3C=CN12.
What is the InChIKey of 3-propan-2-yl-[1,3]thiazolo[2,3-b][1,3]benzodiazepine?
The InChIKey is FJGXPCQONMIHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S/c1-10(2)13-9-17-14-15-12-6-4-3-5-11(12)7-8-16(13)14/h3-10H,1-2H3.
What are the key properties of 3-propan-2-yl-[1,3]thiazolo[2,3-b][1,3]benzodiazepine?
3-propan-2-yl-[1,3]thiazolo[2,3-b][1,3]benzodiazepine has a molecular weight of 242.35 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-[1,3]thiazolo[2,3-b][1,3]benzodiazepine is sourced from PubChem (CID 170667184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).