[4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl] N-(6-methoxy-3-pyridinyl)carbamate

C16H18N8O3S — CID 122444068

IUPAC[4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl] N-(6-methoxy-3-pyridinyl)carbamate
SMILESCOc1ccc(NC(=O)ON2CCN(c3nc(N)nc4scnc34)CC2)cn1
InChIInChI=1S/C16H18N8O3S/c1-26-11-3-2-10(8-18-11)20-16(25)27-24-6-4-23(5-7-24)13-12-14(28-9-19-12)22-15(17)21-13/h2-3,8-9H,4-7H2,1H3,(H,20,25)(H2,17,21,22)
InChIKeyLDAVURNJVKFPMY-UHFFFAOYSA-N
MW402.44 g/mol
LogP1.36
Rot. Bonds4

About [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl] N-(6-methoxy-3-pyridinyl)carbamate

[4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl] N-(6-methoxy-3-pyridinyl)carbamate (PubChem CID 122444068) has the molecular formula C16H18N8O3S and a molecular weight of 402.44 g/mol. Its IUPAC name is [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl] N-(6-methoxy-3-pyridinyl)carbamate.

Molecular Properties

Compound Name[4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl] N-(6-methoxy-3-pyridinyl)carbamate
PubChem CID122444068
Molecular FormulaC16H18N8O3S
Molecular Weight402.44 g/mol
Exact Mass402.12
IUPAC Name[4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl] N-(6-methoxy-3-pyridinyl)carbamate
SMILESCOc1ccc(NC(=O)ON2CCN(c3nc(N)nc4scnc34)CC2)cn1
InChIInChI=1S/C16H18N8O3S/c1-26-11-3-2-10(8-18-11)20-16(25)27-24-6-4-23(5-7-24)13-12-14(28-9-19-12)22-15(17)21-13/h2-3,8-9H,4-7H2,1H3,(H,20,25)(H2,17,21,22)
InChIKeyLDAVURNJVKFPMY-UHFFFAOYSA-N
XLogP1.36
TPSA131.62 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.44
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Related Compounds

[4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl] N-(2,3-dihydro-1H-inden-5-yl)carbamate
CID 122444105
[(2R)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-2-(hydroxymethyl)piperazin-1-yl] N-(4-methoxyphenyl)carbamate
CID 122444031
[4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl] N-[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]carbamate
CID 122444091
[(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-methoxyphenyl)piperazine-1-carboxamide
CID 71572647
4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 122444097
[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
[(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
4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-quinoxalin-6-ylpiperazine-1-carboxamide
CID 71572886
4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(2-methoxypyrimidin-5-yl)-3-methylpiperazine-1-carboxamide
CID 122443980

Frequently Asked Questions

What is the IUPAC name of [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl] N-(6-methoxy-3-pyridinyl)carbamate?
The IUPAC name of [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl] N-(6-methoxy-3-pyridinyl)carbamate (CID 122444068) is [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl] N-(6-methoxy-3-pyridinyl)carbamate.
What is the SMILES notation for [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl] N-(6-methoxy-3-pyridinyl)carbamate?
The canonical SMILES for [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl] N-(6-methoxy-3-pyridinyl)carbamate is COc1ccc(NC(=O)ON2CCN(c3nc(N)nc4scnc34)CC2)cn1.
What is the InChIKey of [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl] N-(6-methoxy-3-pyridinyl)carbamate?
The InChIKey is LDAVURNJVKFPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8O3S/c1-26-11-3-2-10(8-18-11)20-16(25)27-24-6-4-23(5-7-24)13-12-14(28-9-19-12)22-15(17)21-13/h2-3,8-9H,4-7H2,1H3,(H,20,25)(H2,17,21,22).
What are the key properties of [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl] N-(6-methoxy-3-pyridinyl)carbamate?
[4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl] N-(6-methoxy-3-pyridinyl)carbamate has a molecular weight of 402.44 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl] N-(6-methoxy-3-pyridinyl)carbamate is sourced from PubChem (CID 122444068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).