N-[(2S)-2-(4-fluorophenyl)propyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxamide

C15H17FN2O2S — CID 125142342

IUPACN-[(2S)-2-(4-fluorophenyl)propyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxamide
SMILESCOCc1ncsc1C(=O)NC[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C15H17FN2O2S/c1-10(11-3-5-12(16)6-4-11)7-17-15(19)14-13(8-20-2)18-9-21-14/h3-6,9-10H,7-8H2,1-2H3,(H,17,19)/t10-/m1/s1
InChIKeyOAOCBAHBBSWFGS-SNVBAGLBSA-N
MW308.38 g/mol
LogP2.96
Rot. Bonds6

About N-[(2S)-2-(4-fluorophenyl)propyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxamide

N-[(2S)-2-(4-fluorophenyl)propyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxamide (PubChem CID 125142342) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(2S)-2-(4-fluorophenyl)propyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-fluorophenyl)propyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxamide
PubChem CID125142342
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC NameN-[(2S)-2-(4-fluorophenyl)propyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxamide
SMILESCOCc1ncsc1C(=O)NC[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C15H17FN2O2S/c1-10(11-3-5-12(16)6-4-11)7-17-15(19)14-13(8-20-2)18-9-21-14/h3-6,9-10H,7-8H2,1-2H3,(H,17,19)/t10-/m1/s1
InChIKeyOAOCBAHBBSWFGS-SNVBAGLBSA-N
XLogP2.96
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxamide
CID 154801386
3-ethoxy-N-[2-(4-fluorophenyl)propyl]-1H-pyrazole-5-carboxamide
CID 110279600
N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxamide
CID 126801869
N-[2-(4-fluorophenyl)propyl]-3,5-dimethylbenzamide
CID 110279716
4-methyl-N-[2-[[N'-methyl-N-(2-phenylpropyl)carbamimidoyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 111342347
4-methyl-N-[2-[[N'-methyl-N-[2-(4-methylphenyl)propyl]carbamimidoyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 111622572
N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-3-carboxamide
CID 110279490
N-[2-(4-fluorophenyl)propyl]-2,5-dimethylbenzamide
CID 110279740
3-ethyl-N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-5-carboxamide
CID 110279591
4-fluoro-N-[2-(4-nitrophenyl)propyl]benzamide
CID 4702481
1-ethyl-N-[2-(4-fluorophenyl)propyl]-3,5-dimethylpyrazole-4-carboxamide
CID 110279442
3-tert-butyl-N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-5-carboxamide
CID 110279589

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-fluorophenyl)propyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2S)-2-(4-fluorophenyl)propyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxamide (CID 125142342) is N-[(2S)-2-(4-fluorophenyl)propyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-2-(4-fluorophenyl)propyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2S)-2-(4-fluorophenyl)propyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxamide is COCc1ncsc1C(=O)NC[C@@H](C)c1ccc(F)cc1.
What is the InChIKey of N-[(2S)-2-(4-fluorophenyl)propyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is OAOCBAHBBSWFGS-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-10(11-3-5-12(16)6-4-11)7-17-15(19)14-13(8-20-2)18-9-21-14/h3-6,9-10H,7-8H2,1-2H3,(H,17,19)/t10-/m1/s1.
What are the key properties of N-[(2S)-2-(4-fluorophenyl)propyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxamide?
N-[(2S)-2-(4-fluorophenyl)propyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-fluorophenyl)propyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 125142342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).