methyl 2-[2-[[2-(methoxycarbonylamino)-4-methylpentanoyl]amino]-1,3-thiazol-4-yl]acetate

C14H21N3O5S — CID 51106830

IUPACmethyl 2-[2-[[2-(methoxycarbonylamino)-4-methylpentanoyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(=O)C(CC(C)C)NC(=O)OC)n1
InChIInChI=1S/C14H21N3O5S/c1-8(2)5-10(16-14(20)22-4)12(19)17-13-15-9(7-23-13)6-11(18)21-3/h7-8,10H,5-6H2,1-4H3,(H,16,20)(H,15,17,19)
InChIKeyDFKHJZROTMOXLF-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.57
Rot. Bonds7

About methyl 2-[2-[[2-(methoxycarbonylamino)-4-methylpentanoyl]amino]-1,3-thiazol-4-yl]acetate

methyl 2-[2-[[2-(methoxycarbonylamino)-4-methylpentanoyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 51106830) has the molecular formula C14H21N3O5S and a molecular weight of 343.41 g/mol. Its IUPAC name is methyl 2-[2-[[2-(methoxycarbonylamino)-4-methylpentanoyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[[2-(methoxycarbonylamino)-4-methylpentanoyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID51106830
Molecular FormulaC14H21N3O5S
Molecular Weight343.41 g/mol
Exact Mass343.12
IUPAC Namemethyl 2-[2-[[2-(methoxycarbonylamino)-4-methylpentanoyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(=O)C(CC(C)C)NC(=O)OC)n1
InChIInChI=1S/C14H21N3O5S/c1-8(2)5-10(16-14(20)22-4)12(19)17-13-15-9(7-23-13)6-11(18)21-3/h7-8,10H,5-6H2,1-4H3,(H,16,20)(H,15,17,19)
InChIKeyDFKHJZROTMOXLF-UHFFFAOYSA-N
XLogP1.57
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[2-[[2-(methoxycarbonylamino)-4-methylpentanoyl]amino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

ethyl 2-[2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 129010835
ethyl 2-[2-[[(2S)-2-amino-4-methylpentanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 119672769
methyl N-[1-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 47991752
methyl 2-[2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1,3-thiazol-4-yl]acetate
CID 80575239
methyl 2-[2-(methoxycarbonylsulfamoylamino)-1,3-thiazol-4-yl]acetate
CID 114465423
methyl 2-[2-[[(3S)-3-phenylbutanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 38987354
methyl 2-[2-[[2-(4-hydroxyphenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 43623058
ethyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 129010827
methyl 2-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,3-thiazol-4-yl]acetate
CID 80574678
methyl 2-[2-(3-methoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 62589885
methyl 2-[2-(1-amino-3-methylbutyl)-1,3-thiazol-4-yl]acetate
CID 112510215
ethyl 2-[2-(2-aminopropanoylamino)-1,3-thiazol-4-yl]acetate;hydrochloride
CID 119262725

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[2-(methoxycarbonylamino)-4-methylpentanoyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[[2-(methoxycarbonylamino)-4-methylpentanoyl]amino]-1,3-thiazol-4-yl]acetate (CID 51106830) is methyl 2-[2-[[2-(methoxycarbonylamino)-4-methylpentanoyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[[2-(methoxycarbonylamino)-4-methylpentanoyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[[2-(methoxycarbonylamino)-4-methylpentanoyl]amino]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(NC(=O)C(CC(C)C)NC(=O)OC)n1.
What is the InChIKey of methyl 2-[2-[[2-(methoxycarbonylamino)-4-methylpentanoyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is DFKHJZROTMOXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5S/c1-8(2)5-10(16-14(20)22-4)12(19)17-13-15-9(7-23-13)6-11(18)21-3/h7-8,10H,5-6H2,1-4H3,(H,16,20)(H,15,17,19).
What are the key properties of methyl 2-[2-[[2-(methoxycarbonylamino)-4-methylpentanoyl]amino]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[[2-(methoxycarbonylamino)-4-methylpentanoyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 343.41 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[[2-(methoxycarbonylamino)-4-methylpentanoyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 51106830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).