5-methyl-6-(1,2-thiazol-3-yl)-1H-pyrimidine-4-thione

C8H7N3S2 — CID 130840982

IUPAC5-methyl-6-(1,2-thiazol-3-yl)-1H-pyrimidine-4-thione
SMILESCc1c(-c2ccsn2)[nH]cnc1=S
InChIInChI=1S/C8H7N3S2/c1-5-7(6-2-3-13-11-6)9-4-10-8(5)12/h2-4H,1H3,(H,9,10,12)
InChIKeyHYCBZROLSRHYHW-UHFFFAOYSA-N
MW209.30 g/mol
LogP2.57
Rot. Bonds1

About 5-methyl-6-(1,2-thiazol-3-yl)-1H-pyrimidine-4-thione

5-methyl-6-(1,2-thiazol-3-yl)-1H-pyrimidine-4-thione (PubChem CID 130840982) has the molecular formula C8H7N3S2 and a molecular weight of 209.30 g/mol. Its IUPAC name is 5-methyl-6-(1,2-thiazol-3-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-methyl-6-(1,2-thiazol-3-yl)-1H-pyrimidine-4-thione
PubChem CID130840982
Molecular FormulaC8H7N3S2
Molecular Weight209.30 g/mol
Exact Mass209.01
IUPAC Name5-methyl-6-(1,2-thiazol-3-yl)-1H-pyrimidine-4-thione
SMILESCc1c(-c2ccsn2)[nH]cnc1=S
InChIInChI=1S/C8H7N3S2/c1-5-7(6-2-3-13-11-6)9-4-10-8(5)12/h2-4H,1H3,(H,9,10,12)
InChIKeyHYCBZROLSRHYHW-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-methyl-6-(2-methylphenyl)-1H-pyrimidine-4-thione
CID 106514473
5-methyl-6-(1H-pyrrol-2-yl)-1H-pyrimidine-4-thione
CID 106523099
5-methyl-6-pyridin-3-yl-1H-pyrimidine-4-thione
CID 106513798
6-(4-chloro-2-fluorophenyl)-5-methyl-1H-pyrimidine-4-thione
CID 106520005
6-(3-chloro-4-fluorophenyl)-5-methyl-1H-pyrimidine-4-thione
CID 106521056
6-(3-chlorothiophen-2-yl)-5-methoxy-1H-pyrimidine-4-thione
CID 107362481
5-methyl-6-quinolin-7-yl-1H-pyrimidine-4-thione
CID 106519751
5-methyl-6-[3-(2-methylpropyl)phenyl]-1H-pyrimidine-4-thione
CID 106522084
5-ethyl-6-(4-methylphenyl)-1H-pyrimidine-4-thione
CID 106513870
5-methyl-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106517843
5-methoxy-6-(4-methoxy-2-methylphenyl)-1H-pyrimidine-4-thione
CID 106518594
1-(5-methyl-4-sulfanylidene-1H-pyrimidin-6-yl)piperidin-4-one
CID 123880020

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(1,2-thiazol-3-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 5-methyl-6-(1,2-thiazol-3-yl)-1H-pyrimidine-4-thione (CID 130840982) is 5-methyl-6-(1,2-thiazol-3-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-methyl-6-(1,2-thiazol-3-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 5-methyl-6-(1,2-thiazol-3-yl)-1H-pyrimidine-4-thione is Cc1c(-c2ccsn2)[nH]cnc1=S.
What is the InChIKey of 5-methyl-6-(1,2-thiazol-3-yl)-1H-pyrimidine-4-thione?
The InChIKey is HYCBZROLSRHYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3S2/c1-5-7(6-2-3-13-11-6)9-4-10-8(5)12/h2-4H,1H3,(H,9,10,12).
What are the key properties of 5-methyl-6-(1,2-thiazol-3-yl)-1H-pyrimidine-4-thione?
5-methyl-6-(1,2-thiazol-3-yl)-1H-pyrimidine-4-thione has a molecular weight of 209.30 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(1,2-thiazol-3-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 130840982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).