2-amino-N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

C15H22N6OS — CID 72933351

IUPAC2-amino-N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1C(N)C(=O)NCCC1=CSC2=NCCCN12
InChIInChI=1S/C15H22N6OS/c1-9-12(10(2)20-19-9)13(16)14(22)17-6-4-11-8-23-15-18-5-3-7-21(11)15/h8,13H,3-7,16H2,1-2H3,(H,17,22)(H,19,20)
InChIKeyHPPFLSVFCWSCPD-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.18
Rot. Bonds5

About 2-amino-N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

2-amino-N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (PubChem CID 72933351) has the molecular formula C15H22N6OS and a molecular weight of 334.45 g/mol. Its IUPAC name is 2-amino-N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
PubChem CID72933351
Molecular FormulaC15H22N6OS
Molecular Weight334.45 g/mol
Exact Mass334.16
IUPAC Name2-amino-N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1C(N)C(=O)NCCC1=CSC2=NCCCN12
InChIInChI=1S/C15H22N6OS/c1-9-12(10(2)20-19-9)13(16)14(22)17-6-4-11-8-23-15-18-5-3-7-21(11)15/h8,13H,3-7,16H2,1-2H3,(H,17,22)(H,19,20)
InChIKeyHPPFLSVFCWSCPD-UHFFFAOYSA-N
XLogP1.18
TPSA99.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-amino-N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (CID 72933351) is 2-amino-N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is Cc1n[nH]c(C)c1C(N)C(=O)NCCC1=CSC2=NCCCN12.
What is the InChIKey of 2-amino-N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is HPPFLSVFCWSCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6OS/c1-9-12(10(2)20-19-9)13(16)14(22)17-6-4-11-8-23-15-18-5-3-7-21(11)15/h8,13H,3-7,16H2,1-2H3,(H,17,22)(H,19,20).
What are the key properties of 2-amino-N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
2-amino-N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 334.45 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 72933351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).