N-[6-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-fluoro-4-methyl-3-pyridinyl]-3,3-dimethylbutanamide

C18H23FN4OS — CID 176711202

IUPACN-[6-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-fluoro-4-methyl-3-pyridinyl]-3,3-dimethylbutanamide
SMILESCc1cc(N2CCc3ncsc3C2)nc(F)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C18H23FN4OS/c1-11-7-14(23-6-5-12-13(9-23)25-10-20-12)21-17(19)16(11)22-15(24)8-18(2,3)4/h7,10H,5-6,8-9H2,1-4H3,(H,22,24)
InChIKeyXKVBDNOBHYBHRJ-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.92
Rot. Bonds3

About N-[6-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-fluoro-4-methyl-3-pyridinyl]-3,3-dimethylbutanamide

N-[6-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-fluoro-4-methyl-3-pyridinyl]-3,3-dimethylbutanamide (PubChem CID 176711202) has the molecular formula C18H23FN4OS and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[6-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-fluoro-4-methyl-3-pyridinyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[6-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-fluoro-4-methyl-3-pyridinyl]-3,3-dimethylbutanamide
PubChem CID176711202
Molecular FormulaC18H23FN4OS
Molecular Weight362.47 g/mol
Exact Mass362.16
IUPAC NameN-[6-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-fluoro-4-methyl-3-pyridinyl]-3,3-dimethylbutanamide
SMILESCc1cc(N2CCc3ncsc3C2)nc(F)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C18H23FN4OS/c1-11-7-14(23-6-5-12-13(9-23)25-10-20-12)21-17(19)16(11)22-15(24)8-18(2,3)4/h7,10H,5-6,8-9H2,1-4H3,(H,22,24)
InChIKeyXKVBDNOBHYBHRJ-UHFFFAOYSA-N
XLogP3.92
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-fluoro-4-methyl-3-pyridinyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[6-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-fluoro-4-methyl-3-pyridinyl]-3,3-dimethylbutanamide (CID 176711202) is N-[6-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-fluoro-4-methyl-3-pyridinyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[6-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-fluoro-4-methyl-3-pyridinyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[6-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-fluoro-4-methyl-3-pyridinyl]-3,3-dimethylbutanamide is Cc1cc(N2CCc3ncsc3C2)nc(F)c1NC(=O)CC(C)(C)C.
What is the InChIKey of N-[6-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-fluoro-4-methyl-3-pyridinyl]-3,3-dimethylbutanamide?
The InChIKey is XKVBDNOBHYBHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4OS/c1-11-7-14(23-6-5-12-13(9-23)25-10-20-12)21-17(19)16(11)22-15(24)8-18(2,3)4/h7,10H,5-6,8-9H2,1-4H3,(H,22,24).
What are the key properties of N-[6-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-fluoro-4-methyl-3-pyridinyl]-3,3-dimethylbutanamide?
N-[6-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-fluoro-4-methyl-3-pyridinyl]-3,3-dimethylbutanamide has a molecular weight of 362.47 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-fluoro-4-methyl-3-pyridinyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 176711202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).