propan-2-yl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzoate

C15H18N2O2S — CID 60941068

IUPACpropan-2-yl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzoate
SMILESCc1ncc(CNc2ccc(C(=O)OC(C)C)cc2)s1
InChIInChI=1S/C15H18N2O2S/c1-10(2)19-15(18)12-4-6-13(7-5-12)17-9-14-8-16-11(3)20-14/h4-8,10,17H,9H2,1-3H3
InChIKeyCLRDNDYSSPYIOM-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.63
Rot. Bonds5

About propan-2-yl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzoate

propan-2-yl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzoate (PubChem CID 60941068) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is propan-2-yl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzoate
PubChem CID60941068
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Namepropan-2-yl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzoate
SMILESCc1ncc(CNc2ccc(C(=O)OC(C)C)cc2)s1
InChIInChI=1S/C15H18N2O2S/c1-10(2)19-15(18)12-4-6-13(7-5-12)17-9-14-8-16-11(3)20-14/h4-8,10,17H,9H2,1-3H3
InChIKeyCLRDNDYSSPYIOM-UHFFFAOYSA-N
XLogP3.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 60941885
propan-2-yl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
CID 116654769
propan-2-yl 4-[(5-hydroxy-2-pyridinyl)methylamino]benzoate
CID 79782251
4-butan-2-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 54868716
N-[4-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenyl]methanesulfonamide
CID 54868652
propan-2-yl 4-[(4-hydroxyphenyl)methylamino]benzoate
CID 43684030
methyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyridine-2-carboxylate
CID 66285848
propan-2-yl 4-[(4-cyanothiophen-2-yl)methylamino]benzoate
CID 79610904
3-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide
CID 54868850
tert-butyl N-[5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2-pyridinyl]carbamate
CID 103823852
propan-2-yl 4-[(3-ethylimidazol-4-yl)methylamino]benzoate
CID 66133585
propan-2-yl 4-[(2-chlorophenyl)methylamino]benzoate
CID 43231429

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzoate?
The IUPAC name of propan-2-yl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzoate (CID 60941068) is propan-2-yl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzoate.
What is the SMILES notation for propan-2-yl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzoate?
The canonical SMILES for propan-2-yl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzoate is Cc1ncc(CNc2ccc(C(=O)OC(C)C)cc2)s1.
What is the InChIKey of propan-2-yl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzoate?
The InChIKey is CLRDNDYSSPYIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10(2)19-15(18)12-4-6-13(7-5-12)17-9-14-8-16-11(3)20-14/h4-8,10,17H,9H2,1-3H3.
What are the key properties of propan-2-yl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzoate?
propan-2-yl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzoate has a molecular weight of 290.39 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzoate is sourced from PubChem (CID 60941068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).