3-(2-fluorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]propanamide

C18H23FN2OS — CID 110628634

IUPAC3-(2-fluorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]propanamide
SMILESCc1csc(C(CC(C)C)NC(=O)CCc2ccccc2F)n1
InChIInChI=1S/C18H23FN2OS/c1-12(2)10-16(18-20-13(3)11-23-18)21-17(22)9-8-14-6-4-5-7-15(14)19/h4-7,11-12,16H,8-10H2,1-3H3,(H,21,22)
InChIKeyAMWIASWQGKXHOP-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.43
Rot. Bonds7

About 3-(2-fluorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]propanamide

3-(2-fluorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]propanamide (PubChem CID 110628634) has the molecular formula C18H23FN2OS and a molecular weight of 334.46 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]propanamide
PubChem CID110628634
Molecular FormulaC18H23FN2OS
Molecular Weight334.46 g/mol
Exact Mass334.15
IUPAC Name3-(2-fluorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]propanamide
SMILESCc1csc(C(CC(C)C)NC(=O)CCc2ccccc2F)n1
InChIInChI=1S/C18H23FN2OS/c1-12(2)10-16(18-20-13(3)11-23-18)21-17(22)9-8-14-6-4-5-7-15(14)19/h4-7,11-12,16H,8-10H2,1-3H3,(H,21,22)
InChIKeyAMWIASWQGKXHOP-UHFFFAOYSA-N
XLogP4.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chlorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-4-oxobutanamide
CID 110628679
2-(dimethylamino)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-phenylacetamide
CID 110628639
N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110628653
N-(4-acetyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)propanamide
CID 47121377
2,6-dimethoxy-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]benzamide
CID 110289706
N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluorophenyl)propanamide
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3-(2-aminophenyl)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]propanamide;dihydrochloride
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N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]pyridine-3-carboxamide
CID 84510037
N-(1-aminopropan-2-yl)-3-(2-fluorophenyl)propanamide
CID 110833187
N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide
CID 110308155
3-[3-(2-fluorophenyl)propanoylamino]-3-phenylpropanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]propanamide (CID 110628634) is 3-(2-fluorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]propanamide is Cc1csc(C(CC(C)C)NC(=O)CCc2ccccc2F)n1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]propanamide?
The InChIKey is AMWIASWQGKXHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2OS/c1-12(2)10-16(18-20-13(3)11-23-18)21-17(22)9-8-14-6-4-5-7-15(14)19/h4-7,11-12,16H,8-10H2,1-3H3,(H,21,22).
What are the key properties of 3-(2-fluorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]propanamide?
3-(2-fluorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]propanamide has a molecular weight of 334.46 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]propanamide is sourced from PubChem (CID 110628634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).