ethyl 5-(1-cyclopropylpropan-2-ylcarbamoyl)-1,3-thiazole-2-carboxylate

C13H18N2O3S — CID 114267531

IUPACethyl 5-(1-cyclopropylpropan-2-ylcarbamoyl)-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1ncc(C(=O)NC(C)CC2CC2)s1
InChIInChI=1S/C13H18N2O3S/c1-3-18-13(17)12-14-7-10(19-12)11(16)15-8(2)6-9-4-5-9/h7-9H,3-6H2,1-2H3,(H,15,16)
InChIKeyPGIJTUDCEGOJIY-UHFFFAOYSA-N
MW282.37 g/mol
LogP2.24
Rot. Bonds6

About ethyl 5-(1-cyclopropylpropan-2-ylcarbamoyl)-1,3-thiazole-2-carboxylate

ethyl 5-(1-cyclopropylpropan-2-ylcarbamoyl)-1,3-thiazole-2-carboxylate (PubChem CID 114267531) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is ethyl 5-(1-cyclopropylpropan-2-ylcarbamoyl)-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(1-cyclopropylpropan-2-ylcarbamoyl)-1,3-thiazole-2-carboxylate
PubChem CID114267531
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Nameethyl 5-(1-cyclopropylpropan-2-ylcarbamoyl)-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1ncc(C(=O)NC(C)CC2CC2)s1
InChIInChI=1S/C13H18N2O3S/c1-3-18-13(17)12-14-7-10(19-12)11(16)15-8(2)6-9-4-5-9/h7-9H,3-6H2,1-2H3,(H,15,16)
InChIKeyPGIJTUDCEGOJIY-UHFFFAOYSA-N
XLogP2.24
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxycarbonyl-1,3-thiazole-5-carboxylic acid
CID 66714979
ethyl 5-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 114267554
4-amino-N-(1-cyclopropylpropan-2-yl)-2-(diethylamino)-1,3-thiazole-5-carboxamide
CID 116666579
N-(1-cyclopropylpropan-2-yl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81242031
4-amino-N-(1-cyclopropylpropan-2-yl)-1-ethyl-3-methylpyrazole-5-carboxamide
CID 66123131
2-amino-N-(1-cyclopropylpropan-2-yl)-5-methylbenzamide
CID 63993821
ethyl 2-methyl-1,3-thiazole-5-carboxylate
CID 12808791
3-amino-N-(1-cyclopropylpropan-2-yl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107113119
4-amino-N-(1-cyclopropylpropan-2-yl)-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 116666572
4-methyl-N-[1-[5-(propan-2-ylcarbamoyl)-1,3-thiazol-2-yl]propan-2-yl]-1,2,5-oxadiazole-3-carboxamide
CID 166988395
N-(1-cyclopropylpropan-2-yl)-2-ethyl-6-hydrazinylpyridine-4-carboxamide
CID 113381224
ethyl 2-(formamidomethyl)-1,3-thiazole-5-carboxylate
CID 71425005

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1-cyclopropylpropan-2-ylcarbamoyl)-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 5-(1-cyclopropylpropan-2-ylcarbamoyl)-1,3-thiazole-2-carboxylate (CID 114267531) is ethyl 5-(1-cyclopropylpropan-2-ylcarbamoyl)-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 5-(1-cyclopropylpropan-2-ylcarbamoyl)-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 5-(1-cyclopropylpropan-2-ylcarbamoyl)-1,3-thiazole-2-carboxylate is CCOC(=O)c1ncc(C(=O)NC(C)CC2CC2)s1.
What is the InChIKey of ethyl 5-(1-cyclopropylpropan-2-ylcarbamoyl)-1,3-thiazole-2-carboxylate?
The InChIKey is PGIJTUDCEGOJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-3-18-13(17)12-14-7-10(19-12)11(16)15-8(2)6-9-4-5-9/h7-9H,3-6H2,1-2H3,(H,15,16).
What are the key properties of ethyl 5-(1-cyclopropylpropan-2-ylcarbamoyl)-1,3-thiazole-2-carboxylate?
ethyl 5-(1-cyclopropylpropan-2-ylcarbamoyl)-1,3-thiazole-2-carboxylate has a molecular weight of 282.37 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1-cyclopropylpropan-2-ylcarbamoyl)-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 114267531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).