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

C21H26N6OS — CID 135390267

IUPACN-[3-(dimethylamino)propyl]-7-(3,3-dimethyl-2H-indol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCN(C)CCCNC(=O)c1nc2c(N3CC(C)(C)c4ccccc43)ncnc2s1
InChIInChI=1S/C21H26N6OS/c1-21(2)12-27(15-9-6-5-8-14(15)21)17-16-19(24-13-23-17)29-20(25-16)18(28)22-10-7-11-26(3)4/h5-6,8-9,13H,7,10-12H2,1-4H3,(H,22,28)
InChIKeyLVSWSCZOVNFBCZ-UHFFFAOYSA-N
MW410.55 g/mol
LogP3.20
Rot. Bonds6

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

N-[3-(dimethylamino)propyl]-7-(3,3-dimethyl-2H-indol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 135390267) has the molecular formula C21H26N6OS and a molecular weight of 410.55 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-7-(3,3-dimethyl-2H-indol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-7-(3,3-dimethyl-2H-indol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
PubChem CID135390267
Molecular FormulaC21H26N6OS
Molecular Weight410.55 g/mol
Exact Mass410.19
IUPAC NameN-[3-(dimethylamino)propyl]-7-(3,3-dimethyl-2H-indol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCN(C)CCCNC(=O)c1nc2c(N3CC(C)(C)c4ccccc43)ncnc2s1
InChIInChI=1S/C21H26N6OS/c1-21(2)12-27(15-9-6-5-8-14(15)21)17-16-19(24-13-23-17)29-20(25-16)18(28)22-10-7-11-26(3)4/h5-6,8-9,13H,7,10-12H2,1-4H3,(H,22,28)
InChIKeyLVSWSCZOVNFBCZ-UHFFFAOYSA-N
XLogP3.20
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.55
LogP ≤ 53.20
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-(3,3-dimethyl-2H-indol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-7-(3,3-dimethyl-2H-indol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 135390267) is N-[3-(dimethylamino)propyl]-7-(3,3-dimethyl-2H-indol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-7-(3,3-dimethyl-2H-indol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-7-(3,3-dimethyl-2H-indol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is CN(C)CCCNC(=O)c1nc2c(N3CC(C)(C)c4ccccc43)ncnc2s1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-7-(3,3-dimethyl-2H-indol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The InChIKey is LVSWSCZOVNFBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6OS/c1-21(2)12-27(15-9-6-5-8-14(15)21)17-16-19(24-13-23-17)29-20(25-16)18(28)22-10-7-11-26(3)4/h5-6,8-9,13H,7,10-12H2,1-4H3,(H,22,28).
What are the key properties of N-[3-(dimethylamino)propyl]-7-(3,3-dimethyl-2H-indol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
N-[3-(dimethylamino)propyl]-7-(3,3-dimethyl-2H-indol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 410.55 g/mol, XLogP of 3.20, 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-(3,3-dimethyl-2H-indol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 135390267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).