N-cyclopropyl-2-(4-ethoxy-2-fluorophenyl)-1,3-thiazole-4-carboxamide

C15H15FN2O2S — CID 46165214

IUPACN-cyclopropyl-2-(4-ethoxy-2-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(-c2nc(C(=O)NC3CC3)cs2)c(F)c1
InChIInChI=1S/C15H15FN2O2S/c1-2-20-10-5-6-11(12(16)7-10)15-18-13(8-21-15)14(19)17-9-3-4-9/h5-9H,2-4H2,1H3,(H,17,19)
InChIKeyBKPVNUJPXNFLIU-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.24
Rot. Bonds5

About N-cyclopropyl-2-(4-ethoxy-2-fluorophenyl)-1,3-thiazole-4-carboxamide

N-cyclopropyl-2-(4-ethoxy-2-fluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 46165214) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-ethoxy-2-fluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-ethoxy-2-fluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID46165214
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC NameN-cyclopropyl-2-(4-ethoxy-2-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(-c2nc(C(=O)NC3CC3)cs2)c(F)c1
InChIInChI=1S/C15H15FN2O2S/c1-2-20-10-5-6-11(12(16)7-10)15-18-13(8-21-15)14(19)17-9-3-4-9/h5-9H,2-4H2,1H3,(H,17,19)
InChIKeyBKPVNUJPXNFLIU-UHFFFAOYSA-N
XLogP3.24
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Methoxyphenyl)-1,3-thiazole-4-carbaldehyde
CID 4554836
2-(4-methoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24779778
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-[(4-cyanophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 155754761
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 155755003
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 155755083
(Z)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146427577
(E)-3-fluoro-2-[[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146512035
N-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472610
N,2-bis[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472618
N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472640
[2-(4-Methoxybenzyl)-1,3-thiazol-4-yl](piperidino)methanone
CID 1472641
2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3428654

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-ethoxy-2-fluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-(4-ethoxy-2-fluorophenyl)-1,3-thiazole-4-carboxamide (CID 46165214) is N-cyclopropyl-2-(4-ethoxy-2-fluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-(4-ethoxy-2-fluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-(4-ethoxy-2-fluorophenyl)-1,3-thiazole-4-carboxamide is CCOc1ccc(-c2nc(C(=O)NC3CC3)cs2)c(F)c1.
What is the InChIKey of N-cyclopropyl-2-(4-ethoxy-2-fluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is BKPVNUJPXNFLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c1-2-20-10-5-6-11(12(16)7-10)15-18-13(8-21-15)14(19)17-9-3-4-9/h5-9H,2-4H2,1H3,(H,17,19).
What are the key properties of N-cyclopropyl-2-(4-ethoxy-2-fluorophenyl)-1,3-thiazole-4-carboxamide?
N-cyclopropyl-2-(4-ethoxy-2-fluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 306.36 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-ethoxy-2-fluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46165214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).