N-ethyl-N'-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanediamide

C17H20FN3O2S — CID 56786830

IUPACN-ethyl-N'-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanediamide
SMILESCCNC(=O)CCC(=O)Nc1nc(C)c(Cc2ccc(F)cc2)s1
InChIInChI=1S/C17H20FN3O2S/c1-3-19-15(22)8-9-16(23)21-17-20-11(2)14(24-17)10-12-4-6-13(18)7-5-12/h4-7H,3,8-10H2,1-2H3,(H,19,22)(H,20,21,23)
InChIKeyQKNGPUPWSBZKBW-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.04
Rot. Bonds7

About N-ethyl-N'-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanediamide

N-ethyl-N'-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanediamide (PubChem CID 56786830) has the molecular formula C17H20FN3O2S and a molecular weight of 349.43 g/mol. Its IUPAC name is N-ethyl-N'-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanediamide.

Molecular Properties

Compound NameN-ethyl-N'-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanediamide
PubChem CID56786830
Molecular FormulaC17H20FN3O2S
Molecular Weight349.43 g/mol
Exact Mass349.13
IUPAC NameN-ethyl-N'-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanediamide
SMILESCCNC(=O)CCC(=O)Nc1nc(C)c(Cc2ccc(F)cc2)s1
InChIInChI=1S/C17H20FN3O2S/c1-3-19-15(22)8-9-16(23)21-17-20-11(2)14(24-17)10-12-4-6-13(18)7-5-12/h4-7H,3,8-10H2,1-2H3,(H,19,22)(H,20,21,23)
InChIKeyQKNGPUPWSBZKBW-UHFFFAOYSA-N
XLogP3.04
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanamide
CID 43836410
5-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 82054554
N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide
CID 43836967
N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 43836519
2-[2-[[2-(4-fluorophenyl)acetyl]amino]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 93206259
4-fluoro-N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 43836518
N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide
CID 47062848
N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 55957439
(4S)-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-oxoimidazolidine-4-carboxamide
CID 97067107
1-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(oxepan-4-yl)urea
CID 128628590
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)acetamide
CID 43836367
4-(aminomethyl)-N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]oxane-4-carboxamide;hydrochloride
CID 120926106

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanediamide?
The IUPAC name of N-ethyl-N'-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanediamide (CID 56786830) is N-ethyl-N'-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanediamide.
What is the SMILES notation for N-ethyl-N'-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanediamide?
The canonical SMILES for N-ethyl-N'-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanediamide is CCNC(=O)CCC(=O)Nc1nc(C)c(Cc2ccc(F)cc2)s1.
What is the InChIKey of N-ethyl-N'-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanediamide?
The InChIKey is QKNGPUPWSBZKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2S/c1-3-19-15(22)8-9-16(23)21-17-20-11(2)14(24-17)10-12-4-6-13(18)7-5-12/h4-7H,3,8-10H2,1-2H3,(H,19,22)(H,20,21,23).
What are the key properties of N-ethyl-N'-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanediamide?
N-ethyl-N'-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanediamide has a molecular weight of 349.43 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanediamide is sourced from PubChem (CID 56786830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).