N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide

C16H19N5O2S — CID 56878213

IUPACN-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
SMILESCCCn1nc(C)c(CNC(=O)c2cc(=O)nc3sccn23)c1C
InChIInChI=1S/C16H19N5O2S/c1-4-5-21-11(3)12(10(2)19-21)9-17-15(23)13-8-14(22)18-16-20(13)6-7-24-16/h6-8H,4-5,9H2,1-3H3,(H,17,23)
InChIKeyWNMUKUIKBGJMGV-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.91
Rot. Bonds5

About N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide

N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide (PubChem CID 56878213) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
PubChem CID56878213
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC NameN-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
SMILESCCCn1nc(C)c(CNC(=O)c2cc(=O)nc3sccn23)c1C
InChIInChI=1S/C16H19N5O2S/c1-4-5-21-11(3)12(10(2)19-21)9-17-15(23)13-8-14(22)18-16-20(13)6-7-24-16/h6-8H,4-5,9H2,1-3H3,(H,17,23)
InChIKeyWNMUKUIKBGJMGV-UHFFFAOYSA-N
XLogP1.91
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide (CID 56878213) is N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide is CCCn1nc(C)c(CNC(=O)c2cc(=O)nc3sccn23)c1C.
What is the InChIKey of N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide?
The InChIKey is WNMUKUIKBGJMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-4-5-21-11(3)12(10(2)19-21)9-17-15(23)13-8-14(22)18-16-20(13)6-7-24-16/h6-8H,4-5,9H2,1-3H3,(H,17,23).
What are the key properties of N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide?
N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide has a molecular weight of 345.43 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 56878213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).