methyl 2-[(4-bromo-1,2-thiazol-5-yl)amino]-4-methylpentanoate

C10H15BrN2O2S — CID 22236198

IUPACmethyl 2-[(4-bromo-1,2-thiazol-5-yl)amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)Nc1sncc1Br
InChIInChI=1S/C10H15BrN2O2S/c1-6(2)4-8(10(14)15-3)13-9-7(11)5-12-16-9/h5-6,8,13H,4H2,1-3H3
InChIKeyAQNVFJNSWLMKBT-UHFFFAOYSA-N
MW307.21 g/mol
LogP2.91
Rot. Bonds5

About methyl 2-[(4-bromo-1,2-thiazol-5-yl)amino]-4-methylpentanoate

methyl 2-[(4-bromo-1,2-thiazol-5-yl)amino]-4-methylpentanoate (PubChem CID 22236198) has the molecular formula C10H15BrN2O2S and a molecular weight of 307.21 g/mol. Its IUPAC name is methyl 2-[(4-bromo-1,2-thiazol-5-yl)amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(4-bromo-1,2-thiazol-5-yl)amino]-4-methylpentanoate
PubChem CID22236198
Molecular FormulaC10H15BrN2O2S
Molecular Weight307.21 g/mol
Exact Mass306.00
IUPAC Namemethyl 2-[(4-bromo-1,2-thiazol-5-yl)amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)Nc1sncc1Br
InChIInChI=1S/C10H15BrN2O2S/c1-6(2)4-8(10(14)15-3)13-9-7(11)5-12-16-9/h5-6,8,13H,4H2,1-3H3
InChIKeyAQNVFJNSWLMKBT-UHFFFAOYSA-N
XLogP2.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.21
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(4-bromo-1,2-thiazol-5-yl)amino]-4-methylpentanoate with MolForge

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Related Compounds

(2S)-2-[(4-bromo-1,2-thiazol-5-yl)amino]-4-methylpentanoic acid
CID 69152959
(2S)-2-[(4-bromo-1,2-thiazol-5-yl)amino]-N-(cyanomethyl)-4-methylpentanamide
CID 86594562
methyl 2-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]-4-methylpentanoate
CID 115624202
methyl 2-(4-bromo-2-carbamoylanilino)-4-methylpentanoate
CID 114890050
methyl (2R)-2-(chloroamino)-4-methylpentanoate
CID 59125779
methyl (2S)-4-methyl-2-(methylamino)pentanoate;hydrochloride
CID 75487996
methyl 4-methyl-2-[(3-methyl-2-pyridinyl)amino]pentanoate
CID 62254768
methyl 2-(4-bromo-2-carbamothioylanilino)-4-methylpentanoate
CID 114891617
2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568415
methyl 2-[(3-bromothiophene-2-carbonyl)amino]-4-methylpentanoate
CID 47234037
methyl 2-[(3-chloro-4-pyridinyl)amino]-4-methylpentanoate
CID 79840523
methyl 2-[(5-iodopyrimidin-4-yl)amino]-4-methylpentanoate
CID 66339909

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-bromo-1,2-thiazol-5-yl)amino]-4-methylpentanoate?
The IUPAC name of methyl 2-[(4-bromo-1,2-thiazol-5-yl)amino]-4-methylpentanoate (CID 22236198) is methyl 2-[(4-bromo-1,2-thiazol-5-yl)amino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[(4-bromo-1,2-thiazol-5-yl)amino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[(4-bromo-1,2-thiazol-5-yl)amino]-4-methylpentanoate is COC(=O)C(CC(C)C)Nc1sncc1Br.
What is the InChIKey of methyl 2-[(4-bromo-1,2-thiazol-5-yl)amino]-4-methylpentanoate?
The InChIKey is AQNVFJNSWLMKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S/c1-6(2)4-8(10(14)15-3)13-9-7(11)5-12-16-9/h5-6,8,13H,4H2,1-3H3.
What are the key properties of methyl 2-[(4-bromo-1,2-thiazol-5-yl)amino]-4-methylpentanoate?
methyl 2-[(4-bromo-1,2-thiazol-5-yl)amino]-4-methylpentanoate has a molecular weight of 307.21 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-bromo-1,2-thiazol-5-yl)amino]-4-methylpentanoate is sourced from PubChem (CID 22236198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).