3-fluoro-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzamide

C15H17FN2OS — CID 110444040

IUPAC3-fluoro-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCC(C)c1csc(CCNC(=O)c2cccc(F)c2)n1
InChIInChI=1S/C15H17FN2OS/c1-10(2)13-9-20-14(18-13)6-7-17-15(19)11-4-3-5-12(16)8-11/h3-5,8-10H,6-7H2,1-2H3,(H,17,19)
InChIKeyJTCIMLDBASEAEB-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.38
Rot. Bonds5

About 3-fluoro-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzamide

3-fluoro-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 110444040) has the molecular formula C15H17FN2OS and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-fluoro-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID110444040
Molecular FormulaC15H17FN2OS
Molecular Weight292.38 g/mol
Exact Mass292.10
IUPAC Name3-fluoro-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCC(C)c1csc(CCNC(=O)c2cccc(F)c2)n1
InChIInChI=1S/C15H17FN2OS/c1-10(2)13-9-20-14(18-13)6-7-17-15(19)11-4-3-5-12(16)8-11/h3-5,8-10H,6-7H2,1-2H3,(H,17,19)
InChIKeyJTCIMLDBASEAEB-UHFFFAOYSA-N
XLogP3.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375392
N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 110444853
N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]naphthalene-1-carboxamide
CID 110440180
4-tert-butyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110440220
3-acetamido-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide
CID 110439900
N-[2-(2-fluorophenyl)ethyl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 110648392
2,2-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 54773859
1-(3-chlorophenyl)-3-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110446875
3-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 110718386
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
CID 122565410
3-fluoro-N-[2-(2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl]benzamide
CID 7530838
3-chloro-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 54773874

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzamide (CID 110444040) is 3-fluoro-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzamide is CC(C)c1csc(CCNC(=O)c2cccc(F)c2)n1.
What is the InChIKey of 3-fluoro-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is JTCIMLDBASEAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2OS/c1-10(2)13-9-20-14(18-13)6-7-17-15(19)11-4-3-5-12(16)8-11/h3-5,8-10H,6-7H2,1-2H3,(H,17,19).
What are the key properties of 3-fluoro-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzamide?
3-fluoro-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 292.38 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 110444040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).