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

C12H12F3N3S2 — CID 106787664

IUPAC5-methyl-2-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-4-thione
SMILESCCCc1nc(=S)c(C)c(-c2cnc(C(F)(F)F)s2)[nH]1
InChIInChI=1S/C12H12F3N3S2/c1-3-4-8-17-9(6(2)10(19)18-8)7-5-16-11(20-7)12(13,14)15/h5H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyAXHUKAUDCOCMBD-UHFFFAOYSA-N
MW319.38 g/mol
LogP4.54
Rot. Bonds3

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

5-methyl-2-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-4-thione (PubChem CID 106787664) has the molecular formula C12H12F3N3S2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 5-methyl-2-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-methyl-2-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-4-thione
PubChem CID106787664
Molecular FormulaC12H12F3N3S2
Molecular Weight319.38 g/mol
Exact Mass319.04
IUPAC Name5-methyl-2-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-4-thione
SMILESCCCc1nc(=S)c(C)c(-c2cnc(C(F)(F)F)s2)[nH]1
InChIInChI=1S/C12H12F3N3S2/c1-3-4-8-17-9(6(2)10(19)18-8)7-5-16-11(20-7)12(13,14)15/h5H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyAXHUKAUDCOCMBD-UHFFFAOYSA-N
XLogP4.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 54.54
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

N'-(1-methylsulfonylpiperidin-4-yl)-N-[(1E,3Z)-4-methyl-1-(1,3-thiazol-5-yl)-2-(trifluoromethyl)hexa-1,3-dienyl]ethanimidamide
CID 174114332
4-(trifluoromethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-2-thione
CID 106787570
2-cyclopropyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-4-thione
CID 106787572
2-tert-butyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-4-thione
CID 106787574
2-(ethoxymethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-4-thione
CID 106787576
2-cyclopropyl-5-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-4-thione
CID 106787592
2-ethyl-5-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-4-thione
CID 106787603
5-propan-2-yl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-4-thione
CID 106787604
6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-2-thione
CID 106787614
6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-4-thione
CID 106787616
2-(methoxymethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-4-thione
CID 106787618
2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyridine-4-thione
CID 106787623

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-4-thione?
The IUPAC name of 5-methyl-2-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-4-thione (CID 106787664) is 5-methyl-2-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-methyl-2-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-4-thione?
The canonical SMILES for 5-methyl-2-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-4-thione is CCCc1nc(=S)c(C)c(-c2cnc(C(F)(F)F)s2)[nH]1.
What is the InChIKey of 5-methyl-2-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-4-thione?
The InChIKey is AXHUKAUDCOCMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3S2/c1-3-4-8-17-9(6(2)10(19)18-8)7-5-16-11(20-7)12(13,14)15/h5H,3-4H2,1-2H3,(H,17,18,19).
What are the key properties of 5-methyl-2-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-4-thione?
5-methyl-2-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-4-thione has a molecular weight of 319.38 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-4-thione is sourced from PubChem (CID 106787664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).