methyl 4-methyl-2-(1,3-thiazole-2-carbonylamino)pentanoate

C11H16N2O3S — CID 110486192

IUPACmethyl 4-methyl-2-(1,3-thiazole-2-carbonylamino)pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)c1nccs1
InChIInChI=1S/C11H16N2O3S/c1-7(2)6-8(11(15)16-3)13-9(14)10-12-4-5-17-10/h4-5,7-8H,6H2,1-3H3,(H,13,14)
InChIKeyBJGTXYNWBLPVFY-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.46
Rot. Bonds5

About methyl 4-methyl-2-(1,3-thiazole-2-carbonylamino)pentanoate

methyl 4-methyl-2-(1,3-thiazole-2-carbonylamino)pentanoate (PubChem CID 110486192) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is methyl 4-methyl-2-(1,3-thiazole-2-carbonylamino)pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-(1,3-thiazole-2-carbonylamino)pentanoate
PubChem CID110486192
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Namemethyl 4-methyl-2-(1,3-thiazole-2-carbonylamino)pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)c1nccs1
InChIInChI=1S/C11H16N2O3S/c1-7(2)6-8(11(15)16-3)13-9(14)10-12-4-5-17-10/h4-5,7-8H,6H2,1-3H3,(H,13,14)
InChIKeyBJGTXYNWBLPVFY-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(3-bromothiophene-2-carbonyl)amino]-4-methylpentanoate
CID 47234037
methyl (2S)-2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoate
CID 103954914
methyl 2-[(2-bromopyridine-3-carbonyl)amino]-4-methylpentanoate
CID 103752237
methyl 4-methyl-2-(thiophene-3-carbonylamino)pentanoate
CID 43406132
methyl 2-[(3-aminopyridine-2-carbonyl)amino]-4-methylpentanoate
CID 104741240
methyl 4-methyl-2-[(3-methylpyridine-2-carbonyl)amino]pentanoate
CID 62338800
methyl (2S)-4-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)pentanoate
CID 175927408
methyl 2-[(2-fluoropyridine-4-carbonyl)amino]-4-methylpentanoate
CID 60565397
N-[(1S)-1-cyanoethyl]-1,3-thiazole-2-carboxamide
CID 130629014
methyl (2R)-2-[(6-chloropyridine-3-carbonyl)amino]-4-methylpentanoate
CID 51681559
methyl (2S)-2-[(2,5-dithiophen-2-ylthiophene-3-carbonyl)amino]-4-methylpentanoate
CID 46946107
methyl 2-[(4-methoxybenzoyl)amino]-4-methylpentanoate
CID 3376404

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-(1,3-thiazole-2-carbonylamino)pentanoate?
The IUPAC name of methyl 4-methyl-2-(1,3-thiazole-2-carbonylamino)pentanoate (CID 110486192) is methyl 4-methyl-2-(1,3-thiazole-2-carbonylamino)pentanoate.
What is the SMILES notation for methyl 4-methyl-2-(1,3-thiazole-2-carbonylamino)pentanoate?
The canonical SMILES for methyl 4-methyl-2-(1,3-thiazole-2-carbonylamino)pentanoate is COC(=O)C(CC(C)C)NC(=O)c1nccs1.
What is the InChIKey of methyl 4-methyl-2-(1,3-thiazole-2-carbonylamino)pentanoate?
The InChIKey is BJGTXYNWBLPVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-7(2)6-8(11(15)16-3)13-9(14)10-12-4-5-17-10/h4-5,7-8H,6H2,1-3H3,(H,13,14).
What are the key properties of methyl 4-methyl-2-(1,3-thiazole-2-carbonylamino)pentanoate?
methyl 4-methyl-2-(1,3-thiazole-2-carbonylamino)pentanoate has a molecular weight of 256.33 g/mol, XLogP of 1.46, 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-(1,3-thiazole-2-carbonylamino)pentanoate is sourced from PubChem (CID 110486192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).