(3S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-3-methyl-N-pyrimidin-2-ylpiperazine-1-carboxamide

C15H17N9OS — CID 71573359

IUPAC(3S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-3-methyl-N-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESC[C@H]1CN(C(=O)Nc2ncccn2)CCN1c1nc(N)nc2scnc12
InChIInChI=1S/C15H17N9OS/c1-9-7-23(15(25)22-14-17-3-2-4-18-14)5-6-24(9)11-10-12(26-8-19-10)21-13(16)20-11/h2-4,8-9H,5-7H2,1H3,(H2,16,20,21)(H,17,18,22,25)/t9-/m0/s1
InChIKeyAGFHSGSXVDKLKK-VIFPVBQESA-N
MW371.43 g/mol
LogP1.20
Rot. Bonds2

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

(3S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-3-methyl-N-pyrimidin-2-ylpiperazine-1-carboxamide (PubChem CID 71573359) has the molecular formula C15H17N9OS and a molecular weight of 371.43 g/mol. Its IUPAC name is (3S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-3-methyl-N-pyrimidin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(3S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-3-methyl-N-pyrimidin-2-ylpiperazine-1-carboxamide
PubChem CID71573359
Molecular FormulaC15H17N9OS
Molecular Weight371.43 g/mol
Exact Mass371.13
IUPAC Name(3S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-3-methyl-N-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESC[C@H]1CN(C(=O)Nc2ncccn2)CCN1c1nc(N)nc2scnc12
InChIInChI=1S/C15H17N9OS/c1-9-7-23(15(25)22-14-17-3-2-4-18-14)5-6-24(9)11-10-12(26-8-19-10)21-13(16)20-11/h2-4,8-9H,5-7H2,1H3,(H2,16,20,21)(H,17,18,22,25)/t9-/m0/s1
InChIKeyAGFHSGSXVDKLKK-VIFPVBQESA-N
XLogP1.20
TPSA126.05 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (3S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-3-methyl-N-pyrimidin-2-ylpiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-3-methyl-N-pyrimidin-2-ylpiperazine-1-carboxamide?
The IUPAC name of (3S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-3-methyl-N-pyrimidin-2-ylpiperazine-1-carboxamide (CID 71573359) is (3S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-3-methyl-N-pyrimidin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for (3S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-3-methyl-N-pyrimidin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for (3S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-3-methyl-N-pyrimidin-2-ylpiperazine-1-carboxamide is C[C@H]1CN(C(=O)Nc2ncccn2)CCN1c1nc(N)nc2scnc12.
What is the InChIKey of (3S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-3-methyl-N-pyrimidin-2-ylpiperazine-1-carboxamide?
The InChIKey is AGFHSGSXVDKLKK-VIFPVBQESA-N. The full InChI is InChI=1S/C15H17N9OS/c1-9-7-23(15(25)22-14-17-3-2-4-18-14)5-6-24(9)11-10-12(26-8-19-10)21-13(16)20-11/h2-4,8-9H,5-7H2,1H3,(H2,16,20,21)(H,17,18,22,25)/t9-/m0/s1.
What are the key properties of (3S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-3-methyl-N-pyrimidin-2-ylpiperazine-1-carboxamide?
(3S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-3-methyl-N-pyrimidin-2-ylpiperazine-1-carboxamide has a molecular weight of 371.43 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-3-methyl-N-pyrimidin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 71573359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).