4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(3-methoxyphenyl)-2,3-dimethylpiperazine-1-carboxamide

C19H23N7O2S — CID 122443970

IUPAC4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(3-methoxyphenyl)-2,3-dimethylpiperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(c3nc(N)nc4scnc34)C(C)C2C)c1
InChIInChI=1S/C19H23N7O2S/c1-11-12(2)26(19(27)22-13-5-4-6-14(9-13)28-3)8-7-25(11)16-15-17(29-10-21-15)24-18(20)23-16/h4-6,9-12H,7-8H2,1-3H3,(H,22,27)(H2,20,23,24)
InChIKeyWGFDODVEFWSMPM-UHFFFAOYSA-N
MW413.51 g/mol
LogP2.81
Rot. Bonds3

About 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(3-methoxyphenyl)-2,3-dimethylpiperazine-1-carboxamide

4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(3-methoxyphenyl)-2,3-dimethylpiperazine-1-carboxamide (PubChem CID 122443970) has the molecular formula C19H23N7O2S and a molecular weight of 413.51 g/mol. Its IUPAC name is 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(3-methoxyphenyl)-2,3-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(3-methoxyphenyl)-2,3-dimethylpiperazine-1-carboxamide
PubChem CID122443970
Molecular FormulaC19H23N7O2S
Molecular Weight413.51 g/mol
Exact Mass413.16
IUPAC Name4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(3-methoxyphenyl)-2,3-dimethylpiperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(c3nc(N)nc4scnc34)C(C)C2C)c1
InChIInChI=1S/C19H23N7O2S/c1-11-12(2)26(19(27)22-13-5-4-6-14(9-13)28-3)8-7-25(11)16-15-17(29-10-21-15)24-18(20)23-16/h4-6,9-12H,7-8H2,1-3H3,(H,22,27)(H2,20,23,24)
InChIKeyWGFDODVEFWSMPM-UHFFFAOYSA-N
XLogP2.81
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.51
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[(2S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-2-(hydroxymethyl)piperazin-1-yl] N-(3-methoxyphenyl)carbamate
CID 122444305
4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(2-methoxypyrimidin-5-yl)-3-methylpiperazine-1-carboxamide
CID 122443980
[(3R)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-3-methylpiperazin-1-yl] N-(4-methoxy-2-methylphenyl)carbamate
CID 122444202
[4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-3-methylpiperazin-1-yl] N-(4-methoxy-2-methylphenyl)carbamate
CID 122444235
[(3S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-3-methylpiperazin-1-yl] N-(2-chloro-4-methoxyphenyl)carbamate
CID 122444063
(3S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-3-methyl-N-pyridin-2-ylpiperazine-1-carboxamide
CID 122444042
4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-3-methyl-N-(4-nitrophenyl)piperazine-1-carboxamide
CID 78116677
4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 71572647
[(2R)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-2-(hydroxymethyl)piperazin-1-yl] N-(4-methoxyphenyl)carbamate
CID 122444031
[3-(2-amino-2-oxoethyl)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl] N-(2-methoxyphenyl)carbamate
CID 122444322
(3S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-3-methyl-N-[2-methyl-4-(oxetan-3-yloxy)phenyl]piperazine-1-carboxamide
CID 122444040
4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-quinoxalin-6-ylpiperazine-1-carboxamide
CID 71572886

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(3-methoxyphenyl)-2,3-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(3-methoxyphenyl)-2,3-dimethylpiperazine-1-carboxamide (CID 122443970) is 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(3-methoxyphenyl)-2,3-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(3-methoxyphenyl)-2,3-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(3-methoxyphenyl)-2,3-dimethylpiperazine-1-carboxamide is COc1cccc(NC(=O)N2CCN(c3nc(N)nc4scnc34)C(C)C2C)c1.
What is the InChIKey of 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(3-methoxyphenyl)-2,3-dimethylpiperazine-1-carboxamide?
The InChIKey is WGFDODVEFWSMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2S/c1-11-12(2)26(19(27)22-13-5-4-6-14(9-13)28-3)8-7-25(11)16-15-17(29-10-21-15)24-18(20)23-16/h4-6,9-12H,7-8H2,1-3H3,(H,22,27)(H2,20,23,24).
What are the key properties of 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(3-methoxyphenyl)-2,3-dimethylpiperazine-1-carboxamide?
4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(3-methoxyphenyl)-2,3-dimethylpiperazine-1-carboxamide has a molecular weight of 413.51 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(3-methoxyphenyl)-2,3-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 122443970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).