N-[2-(dimethylamino)-2-oxoethyl]-7-[(6-methoxy-1H-indazol-5-yl)amino]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

C19H20N8O3S — CID 78323385

IUPACN-[2-(dimethylamino)-2-oxoethyl]-7-[(6-methoxy-1H-indazol-5-yl)amino]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCOc1cc2[nH]ncc2cc1Nc1ncnc2sc(C(=O)N(C)CC(=O)N(C)C)nc12
InChIInChI=1S/C19H20N8O3S/c1-26(2)14(28)8-27(3)19(29)18-24-15-16(20-9-21-17(15)31-18)23-12-5-10-7-22-25-11(10)6-13(12)30-4/h5-7,9H,8H2,1-4H3,(H,22,25)(H,20,21,23)
InChIKeyYUXHVQMBKVZDJF-UHFFFAOYSA-N
MW440.49 g/mol
LogP1.88
Rot. Bonds6

About N-[2-(dimethylamino)-2-oxoethyl]-7-[(6-methoxy-1H-indazol-5-yl)amino]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

N-[2-(dimethylamino)-2-oxoethyl]-7-[(6-methoxy-1H-indazol-5-yl)amino]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 78323385) has the molecular formula C19H20N8O3S and a molecular weight of 440.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-7-[(6-methoxy-1H-indazol-5-yl)amino]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-7-[(6-methoxy-1H-indazol-5-yl)amino]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
PubChem CID78323385
Molecular FormulaC19H20N8O3S
Molecular Weight440.49 g/mol
Exact Mass440.14
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-7-[(6-methoxy-1H-indazol-5-yl)amino]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCOc1cc2[nH]ncc2cc1Nc1ncnc2sc(C(=O)N(C)CC(=O)N(C)C)nc12
InChIInChI=1S/C19H20N8O3S/c1-26(2)14(28)8-27(3)19(29)18-24-15-16(20-9-21-17(15)31-18)23-12-5-10-7-22-25-11(10)6-13(12)30-4/h5-7,9H,8H2,1-4H3,(H,22,25)(H,20,21,23)
InChIKeyYUXHVQMBKVZDJF-UHFFFAOYSA-N
XLogP1.88
TPSA129.23 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-7-[(6-methoxy-1H-indazol-5-yl)amino]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-7-[(6-methoxy-1H-indazol-5-yl)amino]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 78323385) is N-[2-(dimethylamino)-2-oxoethyl]-7-[(6-methoxy-1H-indazol-5-yl)amino]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-7-[(6-methoxy-1H-indazol-5-yl)amino]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-7-[(6-methoxy-1H-indazol-5-yl)amino]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is COc1cc2[nH]ncc2cc1Nc1ncnc2sc(C(=O)N(C)CC(=O)N(C)C)nc12.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-7-[(6-methoxy-1H-indazol-5-yl)amino]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The InChIKey is YUXHVQMBKVZDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O3S/c1-26(2)14(28)8-27(3)19(29)18-24-15-16(20-9-21-17(15)31-18)23-12-5-10-7-22-25-11(10)6-13(12)30-4/h5-7,9H,8H2,1-4H3,(H,22,25)(H,20,21,23).
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-7-[(6-methoxy-1H-indazol-5-yl)amino]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
N-[2-(dimethylamino)-2-oxoethyl]-7-[(6-methoxy-1H-indazol-5-yl)amino]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 440.49 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-7-[(6-methoxy-1H-indazol-5-yl)amino]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 78323385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).