ethyl 4-(cyclopropanecarbonylamino)-3-phenyl-1,2-thiazole-5-carboxylate

C16H16N2O3S — CID 42883070

IUPACethyl 4-(cyclopropanecarbonylamino)-3-phenyl-1,2-thiazole-5-carboxylate
SMILESCCOC(=O)c1snc(-c2ccccc2)c1NC(=O)C1CC1
InChIInChI=1S/C16H16N2O3S/c1-2-21-16(20)14-13(17-15(19)11-8-9-11)12(18-22-14)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,17,19)
InChIKeyNCZKXNGVQWCCCK-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.34
Rot. Bonds5

About ethyl 4-(cyclopropanecarbonylamino)-3-phenyl-1,2-thiazole-5-carboxylate

ethyl 4-(cyclopropanecarbonylamino)-3-phenyl-1,2-thiazole-5-carboxylate (PubChem CID 42883070) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is ethyl 4-(cyclopropanecarbonylamino)-3-phenyl-1,2-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(cyclopropanecarbonylamino)-3-phenyl-1,2-thiazole-5-carboxylate
PubChem CID42883070
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Nameethyl 4-(cyclopropanecarbonylamino)-3-phenyl-1,2-thiazole-5-carboxylate
SMILESCCOC(=O)c1snc(-c2ccccc2)c1NC(=O)C1CC1
InChIInChI=1S/C16H16N2O3S/c1-2-21-16(20)14-13(17-15(19)11-8-9-11)12(18-22-14)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,17,19)
InChIKeyNCZKXNGVQWCCCK-UHFFFAOYSA-N
XLogP3.34
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(cyclohexanecarbonylamino)-4-phenyl-1,3-thiazole-5-carboxylate
CID 3417747
ethyl 4-cyclopropyl-3-pyridin-4-yl-1,2-thiazole-5-carboxylate
CID 171095847
ethyl 2-(cyclopentanecarbonylamino)-5-phenylthiophene-3-carboxylate
CID 841453
ethyl 3-(4-acetamidophenyl)-4-amino-1,2-thiazole-5-carboxylate
CID 134095187
methyl 4-ethyl-3-phenyl-1,2-thiazole-5-carboxylate
CID 123997957
ethyl 2-(cyclopropanecarbonylamino)-1-benzothiophene-3-carboxylate
CID 5201131
ethyl 2-[[2-(methylamino)acetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate;hydrochloride
CID 120703572
ethyl 3-(4-chlorophenyl)-5-(cyclopropanecarbonylamino)-1,2-oxazole-4-carboxylate
CID 108742821
ethyl 2-ethoxy-4-phenyl-1,3-thiazole-5-carboxylate
CID 13041827
ethyl 2-(oxane-4-carbonylamino)benzoate
CID 30790941
ethyl 2-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 16861535
ethyl 2-[[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 55583425

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(cyclopropanecarbonylamino)-3-phenyl-1,2-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-(cyclopropanecarbonylamino)-3-phenyl-1,2-thiazole-5-carboxylate (CID 42883070) is ethyl 4-(cyclopropanecarbonylamino)-3-phenyl-1,2-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-(cyclopropanecarbonylamino)-3-phenyl-1,2-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-(cyclopropanecarbonylamino)-3-phenyl-1,2-thiazole-5-carboxylate is CCOC(=O)c1snc(-c2ccccc2)c1NC(=O)C1CC1.
What is the InChIKey of ethyl 4-(cyclopropanecarbonylamino)-3-phenyl-1,2-thiazole-5-carboxylate?
The InChIKey is NCZKXNGVQWCCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-2-21-16(20)14-13(17-15(19)11-8-9-11)12(18-22-14)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,17,19).
What are the key properties of ethyl 4-(cyclopropanecarbonylamino)-3-phenyl-1,2-thiazole-5-carboxylate?
ethyl 4-(cyclopropanecarbonylamino)-3-phenyl-1,2-thiazole-5-carboxylate has a molecular weight of 316.38 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(cyclopropanecarbonylamino)-3-phenyl-1,2-thiazole-5-carboxylate is sourced from PubChem (CID 42883070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).