3-[2-(diethylamino)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile

C15H15N5S — CID 11709168

IUPAC3-[2-(diethylamino)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
SMILESCCN(CC)c1nc(-c2c[nH]c3ncc(C#N)cc23)cs1
InChIInChI=1S/C15H15N5S/c1-3-20(4-2)15-19-13(9-21-15)12-8-18-14-11(12)5-10(6-16)7-17-14/h5,7-9H,3-4H2,1-2H3,(H,17,18)
InChIKeySXLMTZDCKKOTTQ-UHFFFAOYSA-N
MW297.39 g/mol
LogP3.40
Rot. Bonds4

About 3-[2-(diethylamino)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile

3-[2-(diethylamino)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile (PubChem CID 11709168) has the molecular formula C15H15N5S and a molecular weight of 297.39 g/mol. Its IUPAC name is 3-[2-(diethylamino)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3-[2-(diethylamino)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
PubChem CID11709168
Molecular FormulaC15H15N5S
Molecular Weight297.39 g/mol
Exact Mass297.10
IUPAC Name3-[2-(diethylamino)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
SMILESCCN(CC)c1nc(-c2c[nH]c3ncc(C#N)cc23)cs1
InChIInChI=1S/C15H15N5S/c1-3-20(4-2)15-19-13(9-21-15)12-8-18-14-11(12)5-10(6-16)7-17-14/h5,7-9H,3-4H2,1-2H3,(H,17,18)
InChIKeySXLMTZDCKKOTTQ-UHFFFAOYSA-N
XLogP3.40
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile?
The IUPAC name of 3-[2-(diethylamino)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile (CID 11709168) is 3-[2-(diethylamino)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile.
What is the SMILES notation for 3-[2-(diethylamino)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile?
The canonical SMILES for 3-[2-(diethylamino)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile is CCN(CC)c1nc(-c2c[nH]c3ncc(C#N)cc23)cs1.
What is the InChIKey of 3-[2-(diethylamino)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile?
The InChIKey is SXLMTZDCKKOTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5S/c1-3-20(4-2)15-19-13(9-21-15)12-8-18-14-11(12)5-10(6-16)7-17-14/h5,7-9H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 3-[2-(diethylamino)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile?
3-[2-(diethylamino)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile has a molecular weight of 297.39 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile is sourced from PubChem (CID 11709168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).