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

C15H17N5O2S — CID 92555783

IUPAC2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide
SMILESCc1cc2nc(CNC(=O)Cc3sc(C)nc3C)cc(=O)n2[nH]1
InChIInChI=1S/C15H17N5O2S/c1-8-4-13-18-11(5-15(22)20(13)19-8)7-16-14(21)6-12-9(2)17-10(3)23-12/h4-5,19H,6-7H2,1-3H3,(H,16,21)
InChIKeyRJQFEHWRFZEAKX-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.26
Rot. Bonds4

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

2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide (PubChem CID 92555783) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide
PubChem CID92555783
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide
SMILESCc1cc2nc(CNC(=O)Cc3sc(C)nc3C)cc(=O)n2[nH]1
InChIInChI=1S/C15H17N5O2S/c1-8-4-13-18-11(5-15(22)20(13)19-8)7-16-14(21)6-12-9(2)17-10(3)23-12/h4-5,19H,6-7H2,1-3H3,(H,16,21)
InChIKeyRJQFEHWRFZEAKX-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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Related Compounds

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CID 31043337
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CID 56738252
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CID 136664758
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CID 46955824
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CID 91841892
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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide?
The IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide (CID 92555783) is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide?
The canonical SMILES for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide is Cc1cc2nc(CNC(=O)Cc3sc(C)nc3C)cc(=O)n2[nH]1.
What is the InChIKey of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide?
The InChIKey is RJQFEHWRFZEAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-8-4-13-18-11(5-15(22)20(13)19-8)7-16-14(21)6-12-9(2)17-10(3)23-12/h4-5,19H,6-7H2,1-3H3,(H,16,21).
What are the key properties of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide?
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]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 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide is sourced from PubChem (CID 92555783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).