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

C19H22N6OS — CID 135334241

IUPAC7-(2,3-dihydroindol-1-yl)-N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCN(C)CCCNC(=O)c1nc2c(N3CCc4ccccc43)ncnc2s1
InChIInChI=1S/C19H22N6OS/c1-24(2)10-5-9-20-17(26)19-23-15-16(21-12-22-18(15)27-19)25-11-8-13-6-3-4-7-14(13)25/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,20,26)
InChIKeyCXNIDEGZWPEOCF-UHFFFAOYSA-N
MW382.49 g/mol
LogP2.46
Rot. Bonds6

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

7-(2,3-dihydroindol-1-yl)-N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 135334241) has the molecular formula C19H22N6OS and a molecular weight of 382.49 g/mol. Its IUPAC name is 7-(2,3-dihydroindol-1-yl)-N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(2,3-dihydroindol-1-yl)-N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
PubChem CID135334241
Molecular FormulaC19H22N6OS
Molecular Weight382.49 g/mol
Exact Mass382.16
IUPAC Name7-(2,3-dihydroindol-1-yl)-N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCN(C)CCCNC(=O)c1nc2c(N3CCc4ccccc43)ncnc2s1
InChIInChI=1S/C19H22N6OS/c1-24(2)10-5-9-20-17(26)19-23-15-16(21-12-22-18(15)27-19)25-11-8-13-6-3-4-7-14(13)25/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,20,26)
InChIKeyCXNIDEGZWPEOCF-UHFFFAOYSA-N
XLogP2.46
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 52.46
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 7-(2,3-dihydroindol-1-yl)-N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The IUPAC name of 7-(2,3-dihydroindol-1-yl)-N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 135334241) is 7-(2,3-dihydroindol-1-yl)-N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(2,3-dihydroindol-1-yl)-N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(2,3-dihydroindol-1-yl)-N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is CN(C)CCCNC(=O)c1nc2c(N3CCc4ccccc43)ncnc2s1.
What is the InChIKey of 7-(2,3-dihydroindol-1-yl)-N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The InChIKey is CXNIDEGZWPEOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6OS/c1-24(2)10-5-9-20-17(26)19-23-15-16(21-12-22-18(15)27-19)25-11-8-13-6-3-4-7-14(13)25/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,20,26).
What are the key properties of 7-(2,3-dihydroindol-1-yl)-N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
7-(2,3-dihydroindol-1-yl)-N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dihydroindol-1-yl)-N-[3-(dimethylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 135334241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).