7-[(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C19H24N4OS2 — CID 46815310

IUPAC7-[(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc(SCc2cc(=O)n3c(C)csc3n2)n(C2CCCCC2)c1C
InChIInChI=1S/C19H24N4OS2/c1-12-10-25-19-21-15(9-17(24)22(12)19)11-26-18-20-13(2)14(3)23(18)16-7-5-4-6-8-16/h9-10,16H,4-8,11H2,1-3H3
InChIKeyRLIVUADPORQRFP-UHFFFAOYSA-N
MW388.56 g/mol
LogP4.68
Rot. Bonds4

About 7-[(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 46815310) has the molecular formula C19H24N4OS2 and a molecular weight of 388.56 g/mol. Its IUPAC name is 7-[(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID46815310
Molecular FormulaC19H24N4OS2
Molecular Weight388.56 g/mol
Exact Mass388.14
IUPAC Name7-[(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc(SCc2cc(=O)n3c(C)csc3n2)n(C2CCCCC2)c1C
InChIInChI=1S/C19H24N4OS2/c1-12-10-25-19-21-15(9-17(24)22(12)19)11-26-18-20-13(2)14(3)23(18)16-7-5-4-6-8-16/h9-10,16H,4-8,11H2,1-3H3
InChIKeyRLIVUADPORQRFP-UHFFFAOYSA-N
XLogP4.68
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-[(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(4-tert-butylphenyl)sulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42988467
7-[(2-cyclopentyl-1,3-thiazol-4-yl)methylsulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 49247868
7-[[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46814969
3-methyl-7-[[4-(oxolan-2-ylmethyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 24591582
3-methyl-7-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 8002302
3-methyl-7-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51245326
7-[[5-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51659131
7-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46814925
N-[3-[3-cyclopropyl-5-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-1,2,4-triazol-4-yl]phenyl]acetamide
CID 46593949
7-[(5-bromo-2-pyridinyl)sulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42951128
7-(1-aminopropan-2-ylsulfanylmethyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 66219107
7-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42986343

Frequently Asked Questions

What is the IUPAC name of 7-[(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 46815310) is 7-[(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1nc(SCc2cc(=O)n3c(C)csc3n2)n(C2CCCCC2)c1C.
What is the InChIKey of 7-[(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is RLIVUADPORQRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS2/c1-12-10-25-19-21-15(9-17(24)22(12)19)11-26-18-20-13(2)14(3)23(18)16-7-5-4-6-8-16/h9-10,16H,4-8,11H2,1-3H3.
What are the key properties of 7-[(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 388.56 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylmethyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 46815310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).