3-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazol-2-one

C10H14N4OS — CID 62209726

IUPAC3-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1nn(C)c(N)c1Cn1c(C)csc1=O
InChIInChI=1S/C10H14N4OS/c1-6-5-16-10(15)14(6)4-8-7(2)12-13(3)9(8)11/h5H,4,11H2,1-3H3
InChIKeyJCLXBPUUOVBUSB-UHFFFAOYSA-N
MW238.32 g/mol
LogP0.89
Rot. Bonds2

About 3-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazol-2-one

3-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazol-2-one (PubChem CID 62209726) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 3-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazol-2-one
PubChem CID62209726
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name3-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1nn(C)c(N)c1Cn1c(C)csc1=O
InChIInChI=1S/C10H14N4OS/c1-6-5-16-10(15)14(6)4-8-7(2)12-13(3)9(8)11/h5H,4,11H2,1-3H3
InChIKeyJCLXBPUUOVBUSB-UHFFFAOYSA-N
XLogP0.89
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazol-2-one (CID 62209726) is 3-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazol-2-one is Cc1nn(C)c(N)c1Cn1c(C)csc1=O.
What is the InChIKey of 3-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazol-2-one?
The InChIKey is JCLXBPUUOVBUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-6-5-16-10(15)14(6)4-8-7(2)12-13(3)9(8)11/h5H,4,11H2,1-3H3.
What are the key properties of 3-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazol-2-one?
3-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazol-2-one has a molecular weight of 238.32 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 62209726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).