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

C17H19N7OS — CID 71572531

IUPAC4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(3-methylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCN(c3nc(N)nc4scnc34)CC2)c1
InChIInChI=1S/C17H19N7OS/c1-11-3-2-4-12(9-11)20-17(25)24-7-5-23(6-8-24)14-13-15(26-10-19-13)22-16(18)21-14/h2-4,9-10H,5-8H2,1H3,(H,20,25)(H2,18,21,22)
InChIKeyRJZQRHHIYJPHCY-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.33
Rot. Bonds2

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

4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(3-methylphenyl)piperazine-1-carboxamide (PubChem CID 71572531) has the molecular formula C17H19N7OS and a molecular weight of 369.45 g/mol. Its IUPAC name is 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(3-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(3-methylphenyl)piperazine-1-carboxamide
PubChem CID71572531
Molecular FormulaC17H19N7OS
Molecular Weight369.45 g/mol
Exact Mass369.14
IUPAC Name4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(3-methylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCN(c3nc(N)nc4scnc34)CC2)c1
InChIInChI=1S/C17H19N7OS/c1-11-3-2-4-12(9-11)20-17(25)24-7-5-23(6-8-24)14-13-15(26-10-19-13)22-16(18)21-14/h2-4,9-10H,5-8H2,1H3,(H,20,25)(H2,18,21,22)
InChIKeyRJZQRHHIYJPHCY-UHFFFAOYSA-N
XLogP2.33
TPSA100.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-(3-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(3-methylphenyl)piperazine-1-carboxamide (CID 71572531) is 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(3-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(3-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(3-methylphenyl)piperazine-1-carboxamide is Cc1cccc(NC(=O)N2CCN(c3nc(N)nc4scnc34)CC2)c1.
What is the InChIKey of 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(3-methylphenyl)piperazine-1-carboxamide?
The InChIKey is RJZQRHHIYJPHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7OS/c1-11-3-2-4-12(9-11)20-17(25)24-7-5-23(6-8-24)14-13-15(26-10-19-13)22-16(18)21-14/h2-4,9-10H,5-8H2,1H3,(H,20,25)(H2,18,21,22).
What are the key properties of 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(3-methylphenyl)piperazine-1-carboxamide?
4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(3-methylphenyl)piperazine-1-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 7 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-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 71572531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).