ethyl 5-[2,2-difluoroethyl(methyl)carbamoyl]-1,3-thiazole-2-carboxylate

C10H12F2N2O3S — CID 114267564

IUPACethyl 5-[2,2-difluoroethyl(methyl)carbamoyl]-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1ncc(C(=O)N(C)CC(F)F)s1
InChIInChI=1S/C10H12F2N2O3S/c1-3-17-10(16)8-13-4-6(18-8)9(15)14(2)5-7(11)12/h4,7H,3,5H2,1-2H3
InChIKeyFSTBNXJNHRCTSB-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.66
Rot. Bonds5

About ethyl 5-[2,2-difluoroethyl(methyl)carbamoyl]-1,3-thiazole-2-carboxylate

ethyl 5-[2,2-difluoroethyl(methyl)carbamoyl]-1,3-thiazole-2-carboxylate (PubChem CID 114267564) has the molecular formula C10H12F2N2O3S and a molecular weight of 278.28 g/mol. Its IUPAC name is ethyl 5-[2,2-difluoroethyl(methyl)carbamoyl]-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2,2-difluoroethyl(methyl)carbamoyl]-1,3-thiazole-2-carboxylate
PubChem CID114267564
Molecular FormulaC10H12F2N2O3S
Molecular Weight278.28 g/mol
Exact Mass278.05
IUPAC Nameethyl 5-[2,2-difluoroethyl(methyl)carbamoyl]-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1ncc(C(=O)N(C)CC(F)F)s1
InChIInChI=1S/C10H12F2N2O3S/c1-3-17-10(16)8-13-4-6(18-8)9(15)14(2)5-7(11)12/h4,7H,3,5H2,1-2H3
InChIKeyFSTBNXJNHRCTSB-UHFFFAOYSA-N
XLogP1.66
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(Trifluoromethyl)piperidine-1-carbonyl]-1,3-thiazole-2-carboxylic acid
CID 126739508
Ethyl 5-[4-(trifluoromethyl)piperidine-1-carbonyl]-1,3-thiazole-2-carboxylate
CID 126739546
N,N-dimethyl-2-(1,1,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 146566059
Methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetate
CID 72106116
2-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-5-carboxamide
CID 86843633
2-ethyl-N-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carboxamide
CID 86847597
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 103915379
N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 103915432
2-[(2-Methyl-1,3-thiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 108041042
2-[1,3-Thiazole-5-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 108041043
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide
CID 108042934
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 108042935

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2,2-difluoroethyl(methyl)carbamoyl]-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 5-[2,2-difluoroethyl(methyl)carbamoyl]-1,3-thiazole-2-carboxylate (CID 114267564) is ethyl 5-[2,2-difluoroethyl(methyl)carbamoyl]-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 5-[2,2-difluoroethyl(methyl)carbamoyl]-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 5-[2,2-difluoroethyl(methyl)carbamoyl]-1,3-thiazole-2-carboxylate is CCOC(=O)c1ncc(C(=O)N(C)CC(F)F)s1.
What is the InChIKey of ethyl 5-[2,2-difluoroethyl(methyl)carbamoyl]-1,3-thiazole-2-carboxylate?
The InChIKey is FSTBNXJNHRCTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O3S/c1-3-17-10(16)8-13-4-6(18-8)9(15)14(2)5-7(11)12/h4,7H,3,5H2,1-2H3.
What are the key properties of ethyl 5-[2,2-difluoroethyl(methyl)carbamoyl]-1,3-thiazole-2-carboxylate?
ethyl 5-[2,2-difluoroethyl(methyl)carbamoyl]-1,3-thiazole-2-carboxylate has a molecular weight of 278.28 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2,2-difluoroethyl(methyl)carbamoyl]-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 114267564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).