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

C12H18N2O3S — CID 114114668

IUPACmethyl 2-[2-[(3-methyloxan-3-yl)amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC2(C)CCCOC2)n1
InChIInChI=1S/C12H18N2O3S/c1-12(4-3-5-17-8-12)14-11-13-9(7-18-11)6-10(15)16-2/h7H,3-6,8H2,1-2H3,(H,13,14)
InChIKeyRVFCXNOJMXGNAW-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.84
Rot. Bonds4

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

methyl 2-[2-[(3-methyloxan-3-yl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 114114668) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is methyl 2-[2-[(3-methyloxan-3-yl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(3-methyloxan-3-yl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID114114668
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Namemethyl 2-[2-[(3-methyloxan-3-yl)amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC2(C)CCCOC2)n1
InChIInChI=1S/C12H18N2O3S/c1-12(4-3-5-17-8-12)14-11-13-9(7-18-11)6-10(15)16-2/h7H,3-6,8H2,1-2H3,(H,13,14)
InChIKeyRVFCXNOJMXGNAW-UHFFFAOYSA-N
XLogP1.84
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[2-(4-ethoxyoxan-4-yl)-1,3-thiazol-4-yl]acetate
CID 116744559
methyl 2-[2-[2-(oxolan-2-yl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 80575913
methyl 3-[2-[(2,3-dimethyloxolan-3-yl)amino]-1,3-thiazol-4-yl]propanoate
CID 114096870
methyl 2-[2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazol-4-yl]acetate
CID 80574480
ethyl 2-[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-1,3-thiazol-4-yl]acetate
CID 80575211
methyl 2-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]acetate
CID 80575405
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-(bicyclo[3.1.0]hexane-6-carbonylamino)-1,3-thiazol-4-yl]acetate
CID 79600201
methyl 2-[2-(cyclopent-3-ene-1-carbonylamino)-1,3-thiazol-4-yl]acetate
CID 64766673
2-[(1-methylcyclopentyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568615
methyl 2-[2-(3,3-difluoroazetidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 90150801

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(3-methyloxan-3-yl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[(3-methyloxan-3-yl)amino]-1,3-thiazol-4-yl]acetate (CID 114114668) is methyl 2-[2-[(3-methyloxan-3-yl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[(3-methyloxan-3-yl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[(3-methyloxan-3-yl)amino]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(NC2(C)CCCOC2)n1.
What is the InChIKey of methyl 2-[2-[(3-methyloxan-3-yl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is RVFCXNOJMXGNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-12(4-3-5-17-8-12)14-11-13-9(7-18-11)6-10(15)16-2/h7H,3-6,8H2,1-2H3,(H,13,14).
What are the key properties of methyl 2-[2-[(3-methyloxan-3-yl)amino]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[(3-methyloxan-3-yl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 270.35 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(3-methyloxan-3-yl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 114114668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).