N-(3-fluorophenyl)-3-[methyl(1,2-thiazol-5-ylmethyl)amino]propanamide

C14H16FN3OS — CID 126831036

IUPACN-(3-fluorophenyl)-3-[methyl(1,2-thiazol-5-ylmethyl)amino]propanamide
SMILESCN(CCC(=O)Nc1cccc(F)c1)Cc1ccns1
InChIInChI=1S/C14H16FN3OS/c1-18(10-13-5-7-16-20-13)8-6-14(19)17-12-4-2-3-11(15)9-12/h2-5,7,9H,6,8,10H2,1H3,(H,17,19)
InChIKeyYTGKNZVOFXGWJY-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.74
Rot. Bonds6

About N-(3-fluorophenyl)-3-[methyl(1,2-thiazol-5-ylmethyl)amino]propanamide

N-(3-fluorophenyl)-3-[methyl(1,2-thiazol-5-ylmethyl)amino]propanamide (PubChem CID 126831036) has the molecular formula C14H16FN3OS and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-[methyl(1,2-thiazol-5-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-[methyl(1,2-thiazol-5-ylmethyl)amino]propanamide
PubChem CID126831036
Molecular FormulaC14H16FN3OS
Molecular Weight293.37 g/mol
Exact Mass293.10
IUPAC NameN-(3-fluorophenyl)-3-[methyl(1,2-thiazol-5-ylmethyl)amino]propanamide
SMILESCN(CCC(=O)Nc1cccc(F)c1)Cc1ccns1
InChIInChI=1S/C14H16FN3OS/c1-18(10-13-5-7-16-20-13)8-6-14(19)17-12-4-2-3-11(15)9-12/h2-5,7,9H,6,8,10H2,1H3,(H,17,19)
InChIKeyYTGKNZVOFXGWJY-UHFFFAOYSA-N
XLogP2.74
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772
N-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2714145
2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetic acid
CID 14802232
3-[bis(2-hydroxyethyl)amino]-N-(3-fluorophenyl)propanamide
CID 62022676
3-[bis(2-methylpropyl)amino]-N-(3-fluorophenyl)propanamide
CID 60501159
N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide
CID 2658590
methyl 4-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]butanoate
CID 62013067
3-[2-(dimethylamino)ethyl-[2-(dimethylamino)-2-oxoethyl]amino]-N-(3-fluorophenyl)propanamide
CID 126824367
3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(3-fluorophenyl)propanamide
CID 113138423
3-chloro-N-(3-fluorophenyl)propanamide
CID 3555695
N-(3-fluorophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9049384
N-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylsulfonylamino]propanamide
CID 113139382

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-[methyl(1,2-thiazol-5-ylmethyl)amino]propanamide?
The IUPAC name of N-(3-fluorophenyl)-3-[methyl(1,2-thiazol-5-ylmethyl)amino]propanamide (CID 126831036) is N-(3-fluorophenyl)-3-[methyl(1,2-thiazol-5-ylmethyl)amino]propanamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-[methyl(1,2-thiazol-5-ylmethyl)amino]propanamide?
The canonical SMILES for N-(3-fluorophenyl)-3-[methyl(1,2-thiazol-5-ylmethyl)amino]propanamide is CN(CCC(=O)Nc1cccc(F)c1)Cc1ccns1.
What is the InChIKey of N-(3-fluorophenyl)-3-[methyl(1,2-thiazol-5-ylmethyl)amino]propanamide?
The InChIKey is YTGKNZVOFXGWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS/c1-18(10-13-5-7-16-20-13)8-6-14(19)17-12-4-2-3-11(15)9-12/h2-5,7,9H,6,8,10H2,1H3,(H,17,19).
What are the key properties of N-(3-fluorophenyl)-3-[methyl(1,2-thiazol-5-ylmethyl)amino]propanamide?
N-(3-fluorophenyl)-3-[methyl(1,2-thiazol-5-ylmethyl)amino]propanamide has a molecular weight of 293.37 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-[methyl(1,2-thiazol-5-ylmethyl)amino]propanamide is sourced from PubChem (CID 126831036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).