(2-methyl-1,3-thiazol-4-yl)methyl 4-amino-2-methylbenzoate

C13H14N2O2S — CID 64982506

IUPAC(2-methyl-1,3-thiazol-4-yl)methyl 4-amino-2-methylbenzoate
SMILESCc1nc(COC(=O)c2ccc(N)cc2C)cs1
InChIInChI=1S/C13H14N2O2S/c1-8-5-10(14)3-4-12(8)13(16)17-6-11-7-18-9(2)15-11/h3-5,7H,6,14H2,1-2H3
InChIKeyXMWIOUAHFPNHIX-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.70
Rot. Bonds3

About (2-methyl-1,3-thiazol-4-yl)methyl 4-amino-2-methylbenzoate

(2-methyl-1,3-thiazol-4-yl)methyl 4-amino-2-methylbenzoate (PubChem CID 64982506) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-4-yl)methyl 4-amino-2-methylbenzoate.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-4-yl)methyl 4-amino-2-methylbenzoate
PubChem CID64982506
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name(2-methyl-1,3-thiazol-4-yl)methyl 4-amino-2-methylbenzoate
SMILESCc1nc(COC(=O)c2ccc(N)cc2C)cs1
InChIInChI=1S/C13H14N2O2S/c1-8-5-10(14)3-4-12(8)13(16)17-6-11-7-18-9(2)15-11/h3-5,7H,6,14H2,1-2H3
InChIKeyXMWIOUAHFPNHIX-UHFFFAOYSA-N
XLogP2.70
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-methyl-1,3-thiazol-4-yl)methyl 5-amino-2,3-dichlorobenzoate
CID 103720421
(2-methyl-1,3-thiazol-4-yl)methyl 2-chloro-5-methylsulfonylbenzoate
CID 7725960
(2,6-dichlorophenyl)methyl 4-amino-2-methylbenzoate
CID 63450771
(2-methyl-1,3-thiazol-4-yl)methyl 5-acetamido-2-fluorobenzoate
CID 154775171
(3,4-dichlorophenyl)methyl 4-amino-2-methylbenzoate
CID 63450120
(2-methyl-1,3-thiazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate
CID 2573534
(2-methyl-1,3-thiazol-4-yl)methyl 1,3-benzodioxole-5-carboxylate
CID 2556797
1,3-benzothiazol-2-ylmethyl 4-amino-2-methylbenzoate
CID 115610554
4-amino-2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 61282058
4-bromo-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]aniline
CID 103009149
(2-methyl-1,3-thiazol-4-yl)methyl 4-(difluoromethylsulfonyl)benzoate
CID 2499484
4-amino-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoic acid
CID 106039434

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazol-4-yl)methyl 4-amino-2-methylbenzoate?
The IUPAC name of (2-methyl-1,3-thiazol-4-yl)methyl 4-amino-2-methylbenzoate (CID 64982506) is (2-methyl-1,3-thiazol-4-yl)methyl 4-amino-2-methylbenzoate.
What is the SMILES notation for (2-methyl-1,3-thiazol-4-yl)methyl 4-amino-2-methylbenzoate?
The canonical SMILES for (2-methyl-1,3-thiazol-4-yl)methyl 4-amino-2-methylbenzoate is Cc1nc(COC(=O)c2ccc(N)cc2C)cs1.
What is the InChIKey of (2-methyl-1,3-thiazol-4-yl)methyl 4-amino-2-methylbenzoate?
The InChIKey is XMWIOUAHFPNHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-8-5-10(14)3-4-12(8)13(16)17-6-11-7-18-9(2)15-11/h3-5,7H,6,14H2,1-2H3.
What are the key properties of (2-methyl-1,3-thiazol-4-yl)methyl 4-amino-2-methylbenzoate?
(2-methyl-1,3-thiazol-4-yl)methyl 4-amino-2-methylbenzoate has a molecular weight of 262.33 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazol-4-yl)methyl 4-amino-2-methylbenzoate is sourced from PubChem (CID 64982506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).