N-[3-(dimethylamino)propyl]-7-(7-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

C19H21FN6OS — CID 135389989

IUPACN-[3-(dimethylamino)propyl]-7-(7-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCN(C)CCCNC(=O)c1nc2c(N3CCc4cccc(F)c43)ncnc2s1
InChIInChI=1S/C19H21FN6OS/c1-25(2)9-4-8-21-17(27)19-24-14-16(22-11-23-18(14)28-19)26-10-7-12-5-3-6-13(20)15(12)26/h3,5-6,11H,4,7-10H2,1-2H3,(H,21,27)
InChIKeyQABCCDIMFYICOI-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.60
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-7-(7-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

N-[3-(dimethylamino)propyl]-7-(7-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 135389989) has the molecular formula C19H21FN6OS and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-7-(7-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-7-(7-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
PubChem CID135389989
Molecular FormulaC19H21FN6OS
Molecular Weight400.48 g/mol
Exact Mass400.15
IUPAC NameN-[3-(dimethylamino)propyl]-7-(7-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCN(C)CCCNC(=O)c1nc2c(N3CCc4cccc(F)c43)ncnc2s1
InChIInChI=1S/C19H21FN6OS/c1-25(2)9-4-8-21-17(27)19-24-14-16(22-11-23-18(14)28-19)26-10-7-12-5-3-6-13(20)15(12)26/h3,5-6,11H,4,7-10H2,1-2H3,(H,21,27)
InChIKeyQABCCDIMFYICOI-UHFFFAOYSA-N
XLogP2.60
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-7-(7-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-7-(7-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 135389989) is N-[3-(dimethylamino)propyl]-7-(7-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-7-(7-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-7-(7-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is CN(C)CCCNC(=O)c1nc2c(N3CCc4cccc(F)c43)ncnc2s1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-7-(7-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The InChIKey is QABCCDIMFYICOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6OS/c1-25(2)9-4-8-21-17(27)19-24-14-16(22-11-23-18(14)28-19)26-10-7-12-5-3-6-13(20)15(12)26/h3,5-6,11H,4,7-10H2,1-2H3,(H,21,27).
What are the key properties of N-[3-(dimethylamino)propyl]-7-(7-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
N-[3-(dimethylamino)propyl]-7-(7-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-7-(7-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 135389989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).