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

C16H18N8O2S — CID 71573239

IUPAC4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(6-methoxy-3-pyridinyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3nc(N)nc4scnc34)CC2)cn1
InChIInChI=1S/C16H18N8O2S/c1-26-11-3-2-10(8-18-11)20-16(25)24-6-4-23(5-7-24)13-12-14(27-9-19-12)22-15(17)21-13/h2-3,8-9H,4-7H2,1H3,(H,20,25)(H2,17,21,22)
InChIKeyLNLBUNRJORWRAE-UHFFFAOYSA-N
MW386.44 g/mol
LogP1.43
Rot. Bonds3

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

4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(6-methoxy-3-pyridinyl)piperazine-1-carboxamide (PubChem CID 71573239) has the molecular formula C16H18N8O2S and a molecular weight of 386.44 g/mol. Its IUPAC name is 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(6-methoxy-3-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(6-methoxy-3-pyridinyl)piperazine-1-carboxamide
PubChem CID71573239
Molecular FormulaC16H18N8O2S
Molecular Weight386.44 g/mol
Exact Mass386.13
IUPAC Name4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(6-methoxy-3-pyridinyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3nc(N)nc4scnc34)CC2)cn1
InChIInChI=1S/C16H18N8O2S/c1-26-11-3-2-10(8-18-11)20-16(25)24-6-4-23(5-7-24)13-12-14(27-9-19-12)22-15(17)21-13/h2-3,8-9H,4-7H2,1H3,(H,20,25)(H2,17,21,22)
InChIKeyLNLBUNRJORWRAE-UHFFFAOYSA-N
XLogP1.43
TPSA122.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(6-methoxy-3-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(6-methoxy-3-pyridinyl)piperazine-1-carboxamide (CID 71573239) is 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(6-methoxy-3-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(6-methoxy-3-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(6-methoxy-3-pyridinyl)piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(c3nc(N)nc4scnc34)CC2)cn1.
What is the InChIKey of 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(6-methoxy-3-pyridinyl)piperazine-1-carboxamide?
The InChIKey is LNLBUNRJORWRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8O2S/c1-26-11-3-2-10(8-18-11)20-16(25)24-6-4-23(5-7-24)13-12-14(27-9-19-12)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)-N-(6-methoxy-3-pyridinyl)piperazine-1-carboxamide?
4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(6-methoxy-3-pyridinyl)piperazine-1-carboxamide has a molecular weight of 386.44 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 9 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-(6-methoxy-3-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 71573239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).