5-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidine-2,4-dione;hydrochloride

C8H8ClN3O2S — CID 67519693

IUPAC5-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidine-2,4-dione;hydrochloride
SMILESCc1nc(-c2c[nH]c(=O)[nH]c2=O)cs1.Cl
InChIInChI=1S/C8H7N3O2S.ClH/c1-4-10-6(3-14-4)5-2-9-8(13)11-7(5)12;/h2-3H,1H3,(H2,9,11,12,13);1H
InChIKeyJVMHDIWDPFFSHZ-UHFFFAOYSA-N
MW245.69 g/mol
LogP0.92
Rot. Bonds1

About 5-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidine-2,4-dione;hydrochloride

5-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidine-2,4-dione;hydrochloride (PubChem CID 67519693) has the molecular formula C8H8ClN3O2S and a molecular weight of 245.69 g/mol. Its IUPAC name is 5-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name5-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidine-2,4-dione;hydrochloride
PubChem CID67519693
Molecular FormulaC8H8ClN3O2S
Molecular Weight245.69 g/mol
Exact Mass245.00
IUPAC Name5-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidine-2,4-dione;hydrochloride
SMILESCc1nc(-c2c[nH]c(=O)[nH]c2=O)cs1.Cl
InChIInChI=1S/C8H7N3O2S.ClH/c1-4-10-6(3-14-4)5-2-9-8(13)11-7(5)12;/h2-3H,1H3,(H2,9,11,12,13);1H
InChIKeyJVMHDIWDPFFSHZ-UHFFFAOYSA-N
XLogP0.92
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.69
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 5-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidine-2,4-dione;hydrochloride (CID 67519693) is 5-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 5-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 5-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidine-2,4-dione;hydrochloride is Cc1nc(-c2c[nH]c(=O)[nH]c2=O)cs1.Cl.
What is the InChIKey of 5-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidine-2,4-dione;hydrochloride?
The InChIKey is JVMHDIWDPFFSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2S.ClH/c1-4-10-6(3-14-4)5-2-9-8(13)11-7(5)12;/h2-3H,1H3,(H2,9,11,12,13);1H.
What are the key properties of 5-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidine-2,4-dione;hydrochloride?
5-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidine-2,4-dione;hydrochloride has a molecular weight of 245.69 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 67519693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).