methyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoate

C13H20N2O3S — CID 47426191

IUPACmethyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoate
SMILESCCc1ncc(C(=O)NC(CC(C)C)C(=O)OC)s1
InChIInChI=1S/C13H20N2O3S/c1-5-11-14-7-10(19-11)12(16)15-9(6-8(2)3)13(17)18-4/h7-9H,5-6H2,1-4H3,(H,15,16)
InChIKeyCCNVSTKCCICNBI-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.02
Rot. Bonds6

About methyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoate

methyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoate (PubChem CID 47426191) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is methyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoate
PubChem CID47426191
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Namemethyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoate
SMILESCCc1ncc(C(=O)NC(CC(C)C)C(=O)OC)s1
InChIInChI=1S/C13H20N2O3S/c1-5-11-14-7-10(19-11)12(16)15-9(6-8(2)3)13(17)18-4/h7-9H,5-6H2,1-4H3,(H,15,16)
InChIKeyCCNVSTKCCICNBI-UHFFFAOYSA-N
XLogP2.02
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoate with MolForge

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Related Compounds

Methyl 2-[(2-tert-butyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate
CID 47398728
Methyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-2-methylpropanoate
CID 47426301
Methyl 1-[(2-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylate
CID 53604417
4,4,4-Trifluoro-2-[(2-propyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 121878403
4,4,4-Trifluoro-2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 121878690
3-Fluoro-2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 121945167
3-Fluoro-2-[(2-propyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 121945508
4,4-Difluoro-2-[(2-propyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 121956113
4,4-Difluoro-2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 121956461
Ethyl 4-methyl-1-(1,3-thiazole-5-carbonyl)piperidine-2-carboxylate
CID 21255136
N-[(2-bromo-5-thiazolyl)carbonyl]-L-glutamic acid diethyl ester
CID 54349115
2-[(2-Propan-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid
CID 69471406

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoate?
The IUPAC name of methyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoate (CID 47426191) is methyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoate is CCc1ncc(C(=O)NC(CC(C)C)C(=O)OC)s1.
What is the InChIKey of methyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoate?
The InChIKey is CCNVSTKCCICNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-5-11-14-7-10(19-11)12(16)15-9(6-8(2)3)13(17)18-4/h7-9H,5-6H2,1-4H3,(H,15,16).
What are the key properties of methyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoate?
methyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoate has a molecular weight of 284.38 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoate is sourced from PubChem (CID 47426191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).