2-(dimethylamino)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide

C19H15N7O2S2 — CID 167754168

IUPAC2-(dimethylamino)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCN(C)c1nc2sc(C(=O)Nc3ccc(-n4ncc5c(=O)[nH]cnc54)cc3)cc2s1
InChIInChI=1S/C19H15N7O2S2/c1-25(2)19-24-18-14(30-19)7-13(29-18)17(28)23-10-3-5-11(6-4-10)26-15-12(8-22-26)16(27)21-9-20-15/h3-9H,1-2H3,(H,23,28)(H,20,21,27)
InChIKeyZGQDNLAKEOXTRT-UHFFFAOYSA-N
MW437.51 g/mol
LogP3.10
Rot. Bonds4

About 2-(dimethylamino)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide

2-(dimethylamino)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 167754168) has the molecular formula C19H15N7O2S2 and a molecular weight of 437.51 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID167754168
Molecular FormulaC19H15N7O2S2
Molecular Weight437.51 g/mol
Exact Mass437.07
IUPAC Name2-(dimethylamino)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCN(C)c1nc2sc(C(=O)Nc3ccc(-n4ncc5c(=O)[nH]cnc54)cc3)cc2s1
InChIInChI=1S/C19H15N7O2S2/c1-25(2)19-24-18-14(30-19)7-13(29-18)17(28)23-10-3-5-11(6-4-10)26-15-12(8-22-26)16(27)21-9-20-15/h3-9H,1-2H3,(H,23,28)(H,20,21,27)
InChIKeyZGQDNLAKEOXTRT-UHFFFAOYSA-N
XLogP3.10
TPSA108.80 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-(dimethylamino)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide with MolForge

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Related Compounds

N-(4-acetylphenyl)-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 60522510
cis-(1S,2R)-2-methyl-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 136789630
1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135408735
2-(4-chlorophenyl)-2-hydroxy-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide
CID 138989700
2-(4-chloro-3-fluorophenyl)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide
CID 167896175
2-hydroxy-2-(3-methoxyphenyl)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide
CID 146075407
2-(diethylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 52689236
N-(2-bromoprop-2-enyl)-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 47438451
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]acetamide
CID 136683512
2-(diethylamino)-N-[4-(methylcarbamoyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 60525036
2-[2-methoxyethyl(methyl)amino]-N-[4-(6-methoxy-3-pyridinyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618416
1-(5-bromo-3-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136992687

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 167754168) is 2-(dimethylamino)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide is CN(C)c1nc2sc(C(=O)Nc3ccc(-n4ncc5c(=O)[nH]cnc54)cc3)cc2s1.
What is the InChIKey of 2-(dimethylamino)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is ZGQDNLAKEOXTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N7O2S2/c1-25(2)19-24-18-14(30-19)7-13(29-18)17(28)23-10-3-5-11(6-4-10)26-15-12(8-22-26)16(27)21-9-20-15/h3-9H,1-2H3,(H,23,28)(H,20,21,27).
What are the key properties of 2-(dimethylamino)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide?
2-(dimethylamino)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 437.51 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 167754168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).