(2-ethyl-1,3-thiazol-4-yl)methyl 4-(cyclopropanecarbonylamino)benzoate

C17H18N2O3S — CID 31601334

IUPAC(2-ethyl-1,3-thiazol-4-yl)methyl 4-(cyclopropanecarbonylamino)benzoate
SMILESCCc1nc(COC(=O)c2ccc(NC(=O)C3CC3)cc2)cs1
InChIInChI=1S/C17H18N2O3S/c1-2-15-18-14(10-23-15)9-22-17(21)12-5-7-13(8-6-12)19-16(20)11-3-4-11/h5-8,10-11H,2-4,9H2,1H3,(H,19,20)
InChIKeyLKKTVEYGZGOCJT-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.41
Rot. Bonds6

About (2-ethyl-1,3-thiazol-4-yl)methyl 4-(cyclopropanecarbonylamino)benzoate

(2-ethyl-1,3-thiazol-4-yl)methyl 4-(cyclopropanecarbonylamino)benzoate (PubChem CID 31601334) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is (2-ethyl-1,3-thiazol-4-yl)methyl 4-(cyclopropanecarbonylamino)benzoate.

Molecular Properties

Compound Name(2-ethyl-1,3-thiazol-4-yl)methyl 4-(cyclopropanecarbonylamino)benzoate
PubChem CID31601334
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name(2-ethyl-1,3-thiazol-4-yl)methyl 4-(cyclopropanecarbonylamino)benzoate
SMILESCCc1nc(COC(=O)c2ccc(NC(=O)C3CC3)cc2)cs1
InChIInChI=1S/C17H18N2O3S/c1-2-15-18-14(10-23-15)9-22-17(21)12-5-7-13(8-6-12)19-16(20)11-3-4-11/h5-8,10-11H,2-4,9H2,1H3,(H,19,20)
InChIKeyLKKTVEYGZGOCJT-UHFFFAOYSA-N
XLogP3.41
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 4-(cyclopropanecarbonylamino)benzoate
CID 42984799
[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 4-(cyclopropanecarbonylamino)benzoate
CID 16601206
(2-ethyl-1,3-thiazol-4-yl)methyl 4-nitrobenzoate
CID 18165720
(2-methylphenyl)methyl 4-(cyclopropanecarbonylamino)benzoate
CID 46669660
2-butoxyethyl 4-(cyclopropanecarbonylamino)benzoate
CID 52709382
2-ethylsulfanylethyl 4-(cyclopropanecarbonylamino)benzoate
CID 47362257
(2-ethyl-1,3-thiazol-4-yl)methyl 2,3-dimethyl-1H-indole-5-carboxylate
CID 24647822
methyl N-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]carbamate
CID 47077529
ethyl 4-[[4-(diethylcarbamoyl)cyclohexanecarbonyl]amino]benzoate
CID 109149492
ethyl 4-[[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109151140
ethyl 4-[4-(cyclohexanecarbonylamino)anilino]benzoate
CID 112989355
(2-ethyl-1,3-thiazol-4-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate
CID 18165731

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1,3-thiazol-4-yl)methyl 4-(cyclopropanecarbonylamino)benzoate?
The IUPAC name of (2-ethyl-1,3-thiazol-4-yl)methyl 4-(cyclopropanecarbonylamino)benzoate (CID 31601334) is (2-ethyl-1,3-thiazol-4-yl)methyl 4-(cyclopropanecarbonylamino)benzoate.
What is the SMILES notation for (2-ethyl-1,3-thiazol-4-yl)methyl 4-(cyclopropanecarbonylamino)benzoate?
The canonical SMILES for (2-ethyl-1,3-thiazol-4-yl)methyl 4-(cyclopropanecarbonylamino)benzoate is CCc1nc(COC(=O)c2ccc(NC(=O)C3CC3)cc2)cs1.
What is the InChIKey of (2-ethyl-1,3-thiazol-4-yl)methyl 4-(cyclopropanecarbonylamino)benzoate?
The InChIKey is LKKTVEYGZGOCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-2-15-18-14(10-23-15)9-22-17(21)12-5-7-13(8-6-12)19-16(20)11-3-4-11/h5-8,10-11H,2-4,9H2,1H3,(H,19,20).
What are the key properties of (2-ethyl-1,3-thiazol-4-yl)methyl 4-(cyclopropanecarbonylamino)benzoate?
(2-ethyl-1,3-thiazol-4-yl)methyl 4-(cyclopropanecarbonylamino)benzoate has a molecular weight of 330.41 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1,3-thiazol-4-yl)methyl 4-(cyclopropanecarbonylamino)benzoate is sourced from PubChem (CID 31601334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).