6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-methylpyrrolo[2,3-c]pyridin-7-one

C16H19N3OS — CID 126773472

IUPAC6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-methylpyrrolo[2,3-c]pyridin-7-one
SMILESCn1ccc2ccn(Cc3nc(C(C)(C)C)cs3)c(=O)c21
InChIInChI=1S/C16H19N3OS/c1-16(2,3)12-10-21-13(17-12)9-19-8-6-11-5-7-18(4)14(11)15(19)20/h5-8,10H,9H2,1-4H3
InChIKeyVERMKXSJWAMHFT-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.14
Rot. Bonds2

About 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-methylpyrrolo[2,3-c]pyridin-7-one

6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-methylpyrrolo[2,3-c]pyridin-7-one (PubChem CID 126773472) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-methylpyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-methylpyrrolo[2,3-c]pyridin-7-one
PubChem CID126773472
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC Name6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-methylpyrrolo[2,3-c]pyridin-7-one
SMILESCn1ccc2ccn(Cc3nc(C(C)(C)C)cs3)c(=O)c21
InChIInChI=1S/C16H19N3OS/c1-16(2,3)12-10-21-13(17-12)9-19-8-6-11-5-7-18(4)14(11)15(19)20/h5-8,10H,9H2,1-4H3
InChIKeyVERMKXSJWAMHFT-UHFFFAOYSA-N
XLogP3.14
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-methylpyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-methylpyrrolo[2,3-c]pyridin-7-one (CID 126773472) is 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-methylpyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-methylpyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-methylpyrrolo[2,3-c]pyridin-7-one is Cn1ccc2ccn(Cc3nc(C(C)(C)C)cs3)c(=O)c21.
What is the InChIKey of 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-methylpyrrolo[2,3-c]pyridin-7-one?
The InChIKey is VERMKXSJWAMHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-16(2,3)12-10-21-13(17-12)9-19-8-6-11-5-7-18(4)14(11)15(19)20/h5-8,10H,9H2,1-4H3.
What are the key properties of 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-methylpyrrolo[2,3-c]pyridin-7-one?
6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-methylpyrrolo[2,3-c]pyridin-7-one has a molecular weight of 301.41 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-methylpyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 126773472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).