3,8-dimethyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium

C8H13N2S+ — CID 45089016

IUPAC3,8-dimethyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium
SMILESCc1csc2[n+]1CCCN2C
InChIInChI=1S/C8H13N2S/c1-7-6-11-8-9(2)4-3-5-10(7)8/h6H,3-5H2,1-2H3/q+1
InChIKeyZSKLYELTIVLDKH-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.18
Rot. Bonds

About 3,8-dimethyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium

3,8-dimethyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium (PubChem CID 45089016) has the molecular formula C8H13N2S+ and a molecular weight of 169.27 g/mol. Its IUPAC name is 3,8-dimethyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium.

Molecular Properties

Compound Name3,8-dimethyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium
PubChem CID45089016
Molecular FormulaC8H13N2S+
Molecular Weight169.27 g/mol
Exact Mass169.08
IUPAC Name3,8-dimethyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium
SMILESCc1csc2[n+]1CCCN2C
InChIInChI=1S/C8H13N2S/c1-7-6-11-8-9(2)4-3-5-10(7)8/h6H,3-5H2,1-2H3/q+1
InChIKeyZSKLYELTIVLDKH-UHFFFAOYSA-N
XLogP1.18
TPSA7.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

5,10-dimethyl-3,12-dithia-6,9-diazatricyclo[7.3.0.02,6]dodeca-1,4,10-triene
CID 10846791
(1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-yl)-trimethylsilane
CID 135062535
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 28781366
2,3,4-trimethyl-1,3-thiazol-3-ium iodide
CID 2777821
2,3-dimethyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine
CID 143829285
2-methyl-9-(2-methyl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98895841
ethyl 2-(3-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-4-ium-7-yl)acetate
CID 15750485
[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 95328917
4-amino-N-(1,3-dimethyl-1,3-diazinan-2-ylidene)benzamide;ethane
CID 167707987
1,2-dimethyl-5,6-dihydro-4H-pyrimidine;dihydroiodide
CID 172820210
2,13,21,22-tetramethyl-2,13-diazatricyclo[12.6.2.015,20]docosa-1(21),14(22),15,17,19-pentaene
CID 177435311
ethyl 2-(4-methyl-3-oxo-1,4-diazepan-1-yl)-1,3-thiazole-4-carboxylate
CID 102887594

Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium?
The IUPAC name of 3,8-dimethyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium (CID 45089016) is 3,8-dimethyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium.
What is the SMILES notation for 3,8-dimethyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium?
The canonical SMILES for 3,8-dimethyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium is Cc1csc2[n+]1CCCN2C.
What is the InChIKey of 3,8-dimethyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium?
The InChIKey is ZSKLYELTIVLDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N2S/c1-7-6-11-8-9(2)4-3-5-10(7)8/h6H,3-5H2,1-2H3/q+1.
What are the key properties of 3,8-dimethyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium?
3,8-dimethyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium has a molecular weight of 169.27 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium is sourced from PubChem (CID 45089016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).