N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide

C15H17N5O2S — CID 71873256

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCc1nc(C)c(CNC(=O)Cc2c(C)nc3cc[nH]n3c2=O)s1
InChIInChI=1S/C15H17N5O2S/c1-8-11(15(22)20-13(19-8)4-5-17-20)6-14(21)16-7-12-9(2)18-10(3)23-12/h4-5,17H,6-7H2,1-3H3,(H,16,21)
InChIKeyPPXBHROQICRLNI-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.26
Rot. Bonds4

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide (PubChem CID 71873256) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
PubChem CID71873256
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCc1nc(C)c(CNC(=O)Cc2c(C)nc3cc[nH]n3c2=O)s1
InChIInChI=1S/C15H17N5O2S/c1-8-11(15(22)20-13(19-8)4-5-17-20)6-14(21)16-7-12-9(2)18-10(3)23-12/h4-5,17H,6-7H2,1-3H3,(H,16,21)
InChIKeyPPXBHROQICRLNI-UHFFFAOYSA-N
XLogP1.26
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide (CID 71873256) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide is Cc1nc(C)c(CNC(=O)Cc2c(C)nc3cc[nH]n3c2=O)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The InChIKey is PPXBHROQICRLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-8-11(15(22)20-13(19-8)4-5-17-20)6-14(21)16-7-12-9(2)18-10(3)23-12/h4-5,17H,6-7H2,1-3H3,(H,16,21).
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide has a molecular weight of 331.40 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 71873256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).