methyl 4-methyl-2-(pentanoylamino)-1,3-thiazole-5-carboxylate

C11H16N2O3S — CID 5058750

IUPACmethyl 4-methyl-2-(pentanoylamino)-1,3-thiazole-5-carboxylate
SMILESCCCCC(=O)Nc1nc(C)c(C(=O)OC)s1
InChIInChI=1S/C11H16N2O3S/c1-4-5-6-8(14)13-11-12-7(2)9(17-11)10(15)16-3/h4-6H2,1-3H3,(H,12,13,14)
InChIKeyOVLGEUZILNODSD-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.37
Rot. Bonds5

About methyl 4-methyl-2-(pentanoylamino)-1,3-thiazole-5-carboxylate

methyl 4-methyl-2-(pentanoylamino)-1,3-thiazole-5-carboxylate (PubChem CID 5058750) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is methyl 4-methyl-2-(pentanoylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-(pentanoylamino)-1,3-thiazole-5-carboxylate
PubChem CID5058750
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Namemethyl 4-methyl-2-(pentanoylamino)-1,3-thiazole-5-carboxylate
SMILESCCCCC(=O)Nc1nc(C)c(C(=O)OC)s1
InChIInChI=1S/C11H16N2O3S/c1-4-5-6-8(14)13-11-12-7(2)9(17-11)10(15)16-3/h4-6H2,1-3H3,(H,12,13,14)
InChIKeyOVLGEUZILNODSD-UHFFFAOYSA-N
XLogP2.37
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-methyl-2-(octanoylamino)-1,3-thiazole-5-carboxylate
CID 3466631
methyl 2-(4-methoxybutanoylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 55756724
ethyl 2-(heptanoylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 4072445
methyl 2-[(4-methoxy-4-oxobutanoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 108808756
methyl 4-methyl-2-(4-phenylbutanoylamino)-1,3-thiazole-5-carboxylate
CID 17218045
methyl 2-[[2-(4-butylphenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 60594501
N-(4,5-dimethyl-1,3-thiazol-2-yl)pentanamide
CID 5181179
2-(hexanoylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 58719647
N-(5-chloro-4-methyl-1,3-thiazol-2-yl)pentanamide
CID 154106972
methyl 2-[(3-amino-3-sulfanylidenepropanoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 82154875
ethyl 4-methyl-2-[[4-(pentanoylamino)benzoyl]amino]-1,3-thiazole-5-carboxylate
CID 17256973
propan-2-yl 2-[3-[butyl(methyl)amino]propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 108795382

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-(pentanoylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-methyl-2-(pentanoylamino)-1,3-thiazole-5-carboxylate (CID 5058750) is methyl 4-methyl-2-(pentanoylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-(pentanoylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2-(pentanoylamino)-1,3-thiazole-5-carboxylate is CCCCC(=O)Nc1nc(C)c(C(=O)OC)s1.
What is the InChIKey of methyl 4-methyl-2-(pentanoylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is OVLGEUZILNODSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-4-5-6-8(14)13-11-12-7(2)9(17-11)10(15)16-3/h4-6H2,1-3H3,(H,12,13,14).
What are the key properties of methyl 4-methyl-2-(pentanoylamino)-1,3-thiazole-5-carboxylate?
methyl 4-methyl-2-(pentanoylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 256.33 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-(pentanoylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 5058750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).