2-[3-[6-(dimethylamino)-3-pyridinyl]propanoyl]-[1,2]thiazolo[5,4-b]pyridin-3-one

C16H16N4O2S — CID 147327859

IUPAC2-[3-[6-(dimethylamino)-3-pyridinyl]propanoyl]-[1,2]thiazolo[5,4-b]pyridin-3-one
SMILESCN(C)c1ccc(CCC(=O)n2sc3ncccc3c2=O)cn1
InChIInChI=1S/C16H16N4O2S/c1-19(2)13-7-5-11(10-18-13)6-8-14(21)20-16(22)12-4-3-9-17-15(12)23-20/h3-5,7,9-10H,6,8H2,1-2H3
InChIKeyDBBULHAKJYOJAP-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.19
Rot. Bonds4

About 2-[3-[6-(dimethylamino)-3-pyridinyl]propanoyl]-[1,2]thiazolo[5,4-b]pyridin-3-one

2-[3-[6-(dimethylamino)-3-pyridinyl]propanoyl]-[1,2]thiazolo[5,4-b]pyridin-3-one (PubChem CID 147327859) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-[3-[6-(dimethylamino)-3-pyridinyl]propanoyl]-[1,2]thiazolo[5,4-b]pyridin-3-one.

Molecular Properties

Compound Name2-[3-[6-(dimethylamino)-3-pyridinyl]propanoyl]-[1,2]thiazolo[5,4-b]pyridin-3-one
PubChem CID147327859
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name2-[3-[6-(dimethylamino)-3-pyridinyl]propanoyl]-[1,2]thiazolo[5,4-b]pyridin-3-one
SMILESCN(C)c1ccc(CCC(=O)n2sc3ncccc3c2=O)cn1
InChIInChI=1S/C16H16N4O2S/c1-19(2)13-7-5-11(10-18-13)6-8-14(21)20-16(22)12-4-3-9-17-15(12)23-20/h3-5,7,9-10H,6,8H2,1-2H3
InChIKeyDBBULHAKJYOJAP-UHFFFAOYSA-N
XLogP2.19
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-5-propylpyridin-2-amine
CID 23544386
3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]propanamide;dihydrochloride
CID 119850314
N-[(3-fluoro-4-methoxyphenyl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
CID 70651205
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-thiophen-2-ylacetamide
CID 47026748
N-[(3-methylimidazol-4-yl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
CID 54771315
2-[4-(3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carbonyl)piperazin-1-yl]acetic acid
CID 134145192
2-butyl-[1,2]thiazolo[5,4-b]pyridin-3-one
CID 5271647
N,N-dimethyl-5-propylpyridin-2-amine;2-ethyl-5-propylpyridine
CID 142247684
2-octadecanoyl-1,2-benzothiazol-3-one
CID 123960050
3-oxo-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
CID 54770856
2-(3-phenylpropyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
CID 5271651
3-amino-N-[[6-(dimethylamino)-3-pyridinyl]methyl]butanamide
CID 119850313

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-(dimethylamino)-3-pyridinyl]propanoyl]-[1,2]thiazolo[5,4-b]pyridin-3-one?
The IUPAC name of 2-[3-[6-(dimethylamino)-3-pyridinyl]propanoyl]-[1,2]thiazolo[5,4-b]pyridin-3-one (CID 147327859) is 2-[3-[6-(dimethylamino)-3-pyridinyl]propanoyl]-[1,2]thiazolo[5,4-b]pyridin-3-one.
What is the SMILES notation for 2-[3-[6-(dimethylamino)-3-pyridinyl]propanoyl]-[1,2]thiazolo[5,4-b]pyridin-3-one?
The canonical SMILES for 2-[3-[6-(dimethylamino)-3-pyridinyl]propanoyl]-[1,2]thiazolo[5,4-b]pyridin-3-one is CN(C)c1ccc(CCC(=O)n2sc3ncccc3c2=O)cn1.
What is the InChIKey of 2-[3-[6-(dimethylamino)-3-pyridinyl]propanoyl]-[1,2]thiazolo[5,4-b]pyridin-3-one?
The InChIKey is DBBULHAKJYOJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-19(2)13-7-5-11(10-18-13)6-8-14(21)20-16(22)12-4-3-9-17-15(12)23-20/h3-5,7,9-10H,6,8H2,1-2H3.
What are the key properties of 2-[3-[6-(dimethylamino)-3-pyridinyl]propanoyl]-[1,2]thiazolo[5,4-b]pyridin-3-one?
2-[3-[6-(dimethylamino)-3-pyridinyl]propanoyl]-[1,2]thiazolo[5,4-b]pyridin-3-one has a molecular weight of 328.40 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-(dimethylamino)-3-pyridinyl]propanoyl]-[1,2]thiazolo[5,4-b]pyridin-3-one is sourced from PubChem (CID 147327859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).