ethyl 5-(phenoxycarbonylamino)-2-propyl-1,3-thiazole-4-carboxylate

C16H18N2O4S — CID 58334300

IUPACethyl 5-(phenoxycarbonylamino)-2-propyl-1,3-thiazole-4-carboxylate
SMILESCCCc1nc(C(=O)OCC)c(NC(=O)Oc2ccccc2)s1
InChIInChI=1S/C16H18N2O4S/c1-3-8-12-17-13(15(19)21-4-2)14(23-12)18-16(20)22-11-9-6-5-7-10-11/h5-7,9-10H,3-4,8H2,1-2H3,(H,18,20)
InChIKeyNCXIQOFKDMAJHL-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.88
Rot. Bonds6

About ethyl 5-(phenoxycarbonylamino)-2-propyl-1,3-thiazole-4-carboxylate

ethyl 5-(phenoxycarbonylamino)-2-propyl-1,3-thiazole-4-carboxylate (PubChem CID 58334300) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is ethyl 5-(phenoxycarbonylamino)-2-propyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(phenoxycarbonylamino)-2-propyl-1,3-thiazole-4-carboxylate
PubChem CID58334300
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Nameethyl 5-(phenoxycarbonylamino)-2-propyl-1,3-thiazole-4-carboxylate
SMILESCCCc1nc(C(=O)OCC)c(NC(=O)Oc2ccccc2)s1
InChIInChI=1S/C16H18N2O4S/c1-3-8-12-17-13(15(19)21-4-2)14(23-12)18-16(20)22-11-9-6-5-7-10-11/h5-7,9-10H,3-4,8H2,1-2H3,(H,18,20)
InChIKeyNCXIQOFKDMAJHL-UHFFFAOYSA-N
XLogP3.88
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate
CID 116526179
ethyl 3-methyl-5-(phenoxycarbonylamino)-1,2-thiazole-4-carboxylate
CID 2820507
ethyl 2-(phenoxycarbonylamino)-1,3-benzothiazole-6-carboxylate
CID 87933804
ethyl 2-(2-bromoethyl)-5-phenyl-1,3-thiazole-4-carboxylate
CID 174600643
methyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate
CID 115422950
ethyl 2-(2-aminoethyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116527168
ethyl 2-[4-(phenoxycarbonylamino)phenyl]-1,3-oxazole-4-carboxylate
CID 164735405
methyl 5-methyl-2-(phenoxycarbonylamino)-4-phenylthiophene-3-carboxylate
CID 1179205
5-methyl-2-(phenoxycarbonylamino)thiophene-3-carboxylic acid
CID 63617001
phenyl N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739115
ethyl 2-cyclopentyl-5-(2-phenylbutanoylamino)-1,3-thiazole-4-carboxylate
CID 23627645
ethyl 4-methyl-2-propyl-1,3-thiazole-5-carboxylate
CID 70144784

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(phenoxycarbonylamino)-2-propyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-(phenoxycarbonylamino)-2-propyl-1,3-thiazole-4-carboxylate (CID 58334300) is ethyl 5-(phenoxycarbonylamino)-2-propyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(phenoxycarbonylamino)-2-propyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-(phenoxycarbonylamino)-2-propyl-1,3-thiazole-4-carboxylate is CCCc1nc(C(=O)OCC)c(NC(=O)Oc2ccccc2)s1.
What is the InChIKey of ethyl 5-(phenoxycarbonylamino)-2-propyl-1,3-thiazole-4-carboxylate?
The InChIKey is NCXIQOFKDMAJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-3-8-12-17-13(15(19)21-4-2)14(23-12)18-16(20)22-11-9-6-5-7-10-11/h5-7,9-10H,3-4,8H2,1-2H3,(H,18,20).
What are the key properties of ethyl 5-(phenoxycarbonylamino)-2-propyl-1,3-thiazole-4-carboxylate?
ethyl 5-(phenoxycarbonylamino)-2-propyl-1,3-thiazole-4-carboxylate has a molecular weight of 334.40 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(phenoxycarbonylamino)-2-propyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 58334300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).