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

C12H14BrN3S2 — CID 106479262

IUPAC5-bromo-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1[nH]c(Cc2nc(C)cs2)nc(=S)c1Br
InChIInChI=1S/C12H14BrN3S2/c1-3-4-8-11(13)12(17)16-9(15-8)5-10-14-7(2)6-18-10/h6H,3-5H2,1-2H3,(H,15,16,17)
InChIKeyMUNOGOQWJNRSRV-UHFFFAOYSA-N
MW344.30 g/mol
LogP4.21
Rot. Bonds4

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

5-bromo-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propyl-1H-pyrimidine-4-thione (PubChem CID 106479262) has the molecular formula C12H14BrN3S2 and a molecular weight of 344.30 g/mol. Its IUPAC name is 5-bromo-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-bromo-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propyl-1H-pyrimidine-4-thione
PubChem CID106479262
Molecular FormulaC12H14BrN3S2
Molecular Weight344.30 g/mol
Exact Mass342.98
IUPAC Name5-bromo-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1[nH]c(Cc2nc(C)cs2)nc(=S)c1Br
InChIInChI=1S/C12H14BrN3S2/c1-3-4-8-11(13)12(17)16-9(15-8)5-10-14-7(2)6-18-10/h6H,3-5H2,1-2H3,(H,15,16,17)
InChIKeyMUNOGOQWJNRSRV-UHFFFAOYSA-N
XLogP4.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 54.21
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-bromo-6-cyclopropyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrimidine-4-thione
CID 106480285
5-bromo-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrimidine-6-thione
CID 106480798
5-bromo-2-[(2-fluorophenyl)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106479423
5-bromo-6-propyl-2-(pyridin-2-ylmethyl)-1H-pyrimidine-4-thione
CID 106479299
5-bromo-2-[2-(diethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione
CID 106479339
N-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-imidazol-5-yl]methyl]ethanamine
CID 63108574
5-bromo-N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propylpyrimidin-4-amine
CID 66307752
5-bromo-2-(3,5-difluorophenyl)-6-propyl-1H-pyrimidine-4-thione
CID 106479310
2-ethyl-4-methyl-1,3-thiazole
CID 27440
4-methyl-2-[(4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)methyl]-1,3-thiazole
CID 114741043
azane;2-ethyl-4-methyl-1,3-thiazole
CID 69058661
2-(7-bromoheptyl)-4-methyl-1,3-thiazole
CID 71350357

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propyl-1H-pyrimidine-4-thione?
The IUPAC name of 5-bromo-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propyl-1H-pyrimidine-4-thione (CID 106479262) is 5-bromo-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-bromo-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propyl-1H-pyrimidine-4-thione?
The canonical SMILES for 5-bromo-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propyl-1H-pyrimidine-4-thione is CCCc1[nH]c(Cc2nc(C)cs2)nc(=S)c1Br.
What is the InChIKey of 5-bromo-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propyl-1H-pyrimidine-4-thione?
The InChIKey is MUNOGOQWJNRSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3S2/c1-3-4-8-11(13)12(17)16-9(15-8)5-10-14-7(2)6-18-10/h6H,3-5H2,1-2H3,(H,15,16,17).
What are the key properties of 5-bromo-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propyl-1H-pyrimidine-4-thione?
5-bromo-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propyl-1H-pyrimidine-4-thione has a molecular weight of 344.30 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106479262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).