methyl 2-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetate

C14H16N2O4S — CID 60766057

IUPACmethyl 2-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)c1csc(-c2ccco2)n1)C(C)C
InChIInChI=1S/C14H16N2O4S/c1-9(2)16(7-12(17)19-3)14(18)10-8-21-13(15-10)11-5-4-6-20-11/h4-6,8-9H,7H2,1-3H3
InChIKeyPRFBOOKYUUSMJN-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.43
Rot. Bonds5

About methyl 2-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetate

methyl 2-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetate (PubChem CID 60766057) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is methyl 2-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetate
PubChem CID60766057
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Namemethyl 2-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)c1csc(-c2ccco2)n1)C(C)C
InChIInChI=1S/C14H16N2O4S/c1-9(2)16(7-12(17)19-3)14(18)10-8-21-13(15-10)11-5-4-6-20-11/h4-6,8-9H,7H2,1-3H3
InChIKeyPRFBOOKYUUSMJN-UHFFFAOYSA-N
XLogP2.43
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(furan-2-yl)-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 51088405
2-(furan-2-yl)-N-methyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 134058954
2-[ethyl-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 61021145
N-ethyl-2-(furan-2-yl)-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide
CID 47022125
methyl 4-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]benzoate
CID 38021103
methyl 3-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-3-thiophen-2-ylpropanoate
CID 42945684
4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid
CID 81064620
2-[[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]methyl]-3-methylbutanoic acid
CID 65215285
N-(2-acetamidoethyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36709264
N-ethoxy-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36767453
2-[[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetic acid
CID 119198555
2-(furan-2-yl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 55550855

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetate (CID 60766057) is methyl 2-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetate is COC(=O)CN(C(=O)c1csc(-c2ccco2)n1)C(C)C.
What is the InChIKey of methyl 2-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetate?
The InChIKey is PRFBOOKYUUSMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-9(2)16(7-12(17)19-3)14(18)10-8-21-13(15-10)11-5-4-6-20-11/h4-6,8-9H,7H2,1-3H3.
What are the key properties of methyl 2-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetate?
methyl 2-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetate has a molecular weight of 308.36 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]-propan-2-ylamino]acetate is sourced from PubChem (CID 60766057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).