7-[(6-ethoxy-1H-indazol-5-yl)amino]-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

C17H17N7O2S — CID 78323063

IUPAC7-[(6-ethoxy-1H-indazol-5-yl)amino]-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCCOc1cc2[nH]ncc2cc1Nc1ncnc2sc(C(=O)N(C)C)nc12
InChIInChI=1S/C17H17N7O2S/c1-4-26-12-6-10-9(7-20-23-10)5-11(12)21-14-13-15(19-8-18-14)27-16(22-13)17(25)24(2)3/h5-8H,4H2,1-3H3,(H,20,23)(H,18,19,21)
InChIKeyWRSLSMOUHFZACQ-UHFFFAOYSA-N
MW383.44 g/mol
LogP2.81
Rot. Bonds5

About 7-[(6-ethoxy-1H-indazol-5-yl)amino]-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

7-[(6-ethoxy-1H-indazol-5-yl)amino]-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 78323063) has the molecular formula C17H17N7O2S and a molecular weight of 383.44 g/mol. Its IUPAC name is 7-[(6-ethoxy-1H-indazol-5-yl)amino]-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-[(6-ethoxy-1H-indazol-5-yl)amino]-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
PubChem CID78323063
Molecular FormulaC17H17N7O2S
Molecular Weight383.44 g/mol
Exact Mass383.12
IUPAC Name7-[(6-ethoxy-1H-indazol-5-yl)amino]-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCCOc1cc2[nH]ncc2cc1Nc1ncnc2sc(C(=O)N(C)C)nc12
InChIInChI=1S/C17H17N7O2S/c1-4-26-12-6-10-9(7-20-23-10)5-11(12)21-14-13-15(19-8-18-14)27-16(22-13)17(25)24(2)3/h5-8H,4H2,1-3H3,(H,20,23)(H,18,19,21)
InChIKeyWRSLSMOUHFZACQ-UHFFFAOYSA-N
XLogP2.81
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[(6-ethoxy-1H-indazol-5-yl)amino]-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The IUPAC name of 7-[(6-ethoxy-1H-indazol-5-yl)amino]-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 78323063) is 7-[(6-ethoxy-1H-indazol-5-yl)amino]-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-[(6-ethoxy-1H-indazol-5-yl)amino]-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for 7-[(6-ethoxy-1H-indazol-5-yl)amino]-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is CCOc1cc2[nH]ncc2cc1Nc1ncnc2sc(C(=O)N(C)C)nc12.
What is the InChIKey of 7-[(6-ethoxy-1H-indazol-5-yl)amino]-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The InChIKey is WRSLSMOUHFZACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O2S/c1-4-26-12-6-10-9(7-20-23-10)5-11(12)21-14-13-15(19-8-18-14)27-16(22-13)17(25)24(2)3/h5-8H,4H2,1-3H3,(H,20,23)(H,18,19,21).
What are the key properties of 7-[(6-ethoxy-1H-indazol-5-yl)amino]-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
7-[(6-ethoxy-1H-indazol-5-yl)amino]-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 383.44 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6-ethoxy-1H-indazol-5-yl)amino]-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 78323063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).