2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4,5-dihydro-1,3-thiazole

C12H14N4S2 — CID 2998062

IUPAC2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4,5-dihydro-1,3-thiazole
SMILESCc1cc(C)n2cc(CSC3=NCCS3)nc2n1
InChIInChI=1S/C12H14N4S2/c1-8-5-9(2)16-6-10(15-11(16)14-8)7-18-12-13-3-4-17-12/h5-6H,3-4,7H2,1-2H3
InChIKeyWQZPZENOIWKZLN-UHFFFAOYSA-N
MW278.41 g/mol
LogP2.68
Rot. Bonds2

About 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4,5-dihydro-1,3-thiazole

2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4,5-dihydro-1,3-thiazole (PubChem CID 2998062) has the molecular formula C12H14N4S2 and a molecular weight of 278.41 g/mol. Its IUPAC name is 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4,5-dihydro-1,3-thiazole
PubChem CID2998062
Molecular FormulaC12H14N4S2
Molecular Weight278.41 g/mol
Exact Mass278.07
IUPAC Name2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4,5-dihydro-1,3-thiazole
SMILESCc1cc(C)n2cc(CSC3=NCCS3)nc2n1
InChIInChI=1S/C12H14N4S2/c1-8-5-9(2)16-6-10(15-11(16)14-8)7-18-12-13-3-4-17-12/h5-6H,3-4,7H2,1-2H3
InChIKeyWQZPZENOIWKZLN-UHFFFAOYSA-N
XLogP2.68
TPSA42.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4,5-dihydro-1,3-thiazole with MolForge

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Related Compounds

2-(4,6-Dimethyl-pyrimidin-2-ylsulfanylmethyl)-5,7-dimethyl-imidazo[1,2-a]pyrimidine
CID 915816
5,7-Dimethyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 3509877
5,7-Dimethyl-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 2999197
5-[(5,7-Dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 3000019
3-Bromo-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 3731510
5,7-Dimethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 4304138
5,7-dimethyl-2-[(1H-1,2,4-triazol-5-ylsulfanyl)methyl]imidazo[1,2-a]pyrimidine
CID 1523546
2-Imidazol-1-yl-4,6-dimethylpyrimidine
CID 11206064
3-[(5,7-Dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine
CID 2999561
2-[(5,7-Dimethyl-2-imidazo[1,2-a]pyrimidinyl)methylthio]acetic acid
CID 3645743
2-(Chloromethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine
CID 693330
1,3a,7-Triazaindene, 2,4,6-trimethyl-
CID 21822693

Frequently Asked Questions

What is the IUPAC name of 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4,5-dihydro-1,3-thiazole (CID 2998062) is 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4,5-dihydro-1,3-thiazole is Cc1cc(C)n2cc(CSC3=NCCS3)nc2n1.
What is the InChIKey of 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4,5-dihydro-1,3-thiazole?
The InChIKey is WQZPZENOIWKZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S2/c1-8-5-9(2)16-6-10(15-11(16)14-8)7-18-12-13-3-4-17-12/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4,5-dihydro-1,3-thiazole?
2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4,5-dihydro-1,3-thiazole has a molecular weight of 278.41 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 2998062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).