[2-[[2,5-dimethyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]methyl]-1,3-thiazol-4-yl]methyl acetate

C19H24N4O2S — CID 145045093

IUPAC[2-[[2,5-dimethyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]methyl]-1,3-thiazol-4-yl]methyl acetate
SMILESCC(=O)OCc1csc(Cc2cc(C)c(NC3=NCCCN3)cc2C)n1
InChIInChI=1S/C19H24N4O2S/c1-12-8-17(23-19-20-5-4-6-21-19)13(2)7-15(12)9-18-22-16(11-26-18)10-25-14(3)24/h7-8,11H,4-6,9-10H2,1-3H3,(H2,20,21,23)
InChIKeyBFFZJRXWYOMDSV-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.18
Rot. Bonds5

About [2-[[2,5-dimethyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]methyl]-1,3-thiazol-4-yl]methyl acetate

[2-[[2,5-dimethyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]methyl]-1,3-thiazol-4-yl]methyl acetate (PubChem CID 145045093) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is [2-[[2,5-dimethyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]methyl]-1,3-thiazol-4-yl]methyl acetate.

Molecular Properties

Compound Name[2-[[2,5-dimethyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]methyl]-1,3-thiazol-4-yl]methyl acetate
PubChem CID145045093
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name[2-[[2,5-dimethyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]methyl]-1,3-thiazol-4-yl]methyl acetate
SMILESCC(=O)OCc1csc(Cc2cc(C)c(NC3=NCCCN3)cc2C)n1
InChIInChI=1S/C19H24N4O2S/c1-12-8-17(23-19-20-5-4-6-21-19)13(2)7-15(12)9-18-22-16(11-26-18)10-25-14(3)24/h7-8,11H,4-6,9-10H2,1-3H3,(H2,20,21,23)
InChIKeyBFFZJRXWYOMDSV-UHFFFAOYSA-N
XLogP3.18
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-[[2,5-dimethyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]methyl]-1,3-thiazol-4-yl]methyl acetate with MolForge

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Related Compounds

[2-[[4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylphenyl]methyl]-1,3-thiazol-4-yl]methyl acetate
CID 71250691
[2-[[4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylphenyl]methyl]-1,3-thiazol-4-yl]methyl acetate;dihydrochloride
CID 90185071
[2-[(2,5-dimethyl-4-nitrophenyl)methyl]-1,3-thiazol-4-yl]methanol;[2-[(2,5-dimethyl-4-nitrophenyl)methyl]-1,3-thiazol-4-yl]methyl acetate
CID 158950943
2-[2,5-dimethyl-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]anilino]-4,5-dihydro-1H-pyrimidin-6-one
CID 145045164
N-[2,5-dimethyl-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]phenyl]-2,3,4,5-tetrahydropyridin-6-amine
CID 145045272
4-(4-methylthiophen-3-yl)-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104897
[2-(methylcarbamoyloxymethyl)-1,3-thiazol-4-yl]methyl N-methylcarbamate
CID 154352464
N-[4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-thiadiazol-5-yl]oxy]-2,5-dimethylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 145045262
N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119129389
4-[2-(5,6-dimethyl-3-pyridinyl)-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145105105
4-methyl-6-[(3-phenyl-1,2,4-thiadiazol-5-yl)oxy]-3-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzene-1,3-diamine
CID 145045190
N-[5-fluoro-2-methyl-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]phenyl]-2,3,4,5-tetrahydropyridin-6-amine
CID 145045216

Frequently Asked Questions

What is the IUPAC name of [2-[[2,5-dimethyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]methyl]-1,3-thiazol-4-yl]methyl acetate?
The IUPAC name of [2-[[2,5-dimethyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]methyl]-1,3-thiazol-4-yl]methyl acetate (CID 145045093) is [2-[[2,5-dimethyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]methyl]-1,3-thiazol-4-yl]methyl acetate.
What is the SMILES notation for [2-[[2,5-dimethyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]methyl]-1,3-thiazol-4-yl]methyl acetate?
The canonical SMILES for [2-[[2,5-dimethyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]methyl]-1,3-thiazol-4-yl]methyl acetate is CC(=O)OCc1csc(Cc2cc(C)c(NC3=NCCCN3)cc2C)n1.
What is the InChIKey of [2-[[2,5-dimethyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]methyl]-1,3-thiazol-4-yl]methyl acetate?
The InChIKey is BFFZJRXWYOMDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-12-8-17(23-19-20-5-4-6-21-19)13(2)7-15(12)9-18-22-16(11-26-18)10-25-14(3)24/h7-8,11H,4-6,9-10H2,1-3H3,(H2,20,21,23).
What are the key properties of [2-[[2,5-dimethyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]methyl]-1,3-thiazol-4-yl]methyl acetate?
[2-[[2,5-dimethyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]methyl]-1,3-thiazol-4-yl]methyl acetate has a molecular weight of 372.49 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2,5-dimethyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]methyl]-1,3-thiazol-4-yl]methyl acetate is sourced from PubChem (CID 145045093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).