(2S)-2-(4-fluorophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide

C15H18FN3O2S — CID 35042968

IUPAC(2S)-2-(4-fluorophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCC[C@H](Oc1ccc(F)cc1)C(=O)Nc1nnc(C(C)C)s1
InChIInChI=1S/C15H18FN3O2S/c1-4-12(21-11-7-5-10(16)6-8-11)13(20)17-15-19-18-14(22-15)9(2)3/h5-9,12H,4H2,1-3H3,(H,17,19,20)/t12-/m0/s1
InChIKeyHCFUOLZVBPVUBP-LBPRGKRZSA-N
MW323.39 g/mol
LogP3.60
Rot. Bonds6

About (2S)-2-(4-fluorophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide

(2S)-2-(4-fluorophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 35042968) has the molecular formula C15H18FN3O2S and a molecular weight of 323.39 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID35042968
Molecular FormulaC15H18FN3O2S
Molecular Weight323.39 g/mol
Exact Mass323.11
IUPAC Name(2S)-2-(4-fluorophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCC[C@H](Oc1ccc(F)cc1)C(=O)Nc1nnc(C(C)C)s1
InChIInChI=1S/C15H18FN3O2S/c1-4-12(21-11-7-5-10(16)6-8-11)13(20)17-15-19-18-14(22-15)9(2)3/h5-9,12H,4H2,1-3H3,(H,17,19,20)/t12-/m0/s1
InChIKeyHCFUOLZVBPVUBP-LBPRGKRZSA-N
XLogP3.60
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenoxy)-N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 133184293
(2S)-2-(4-fluorophenoxy)-N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]butanamide
CID 1252669
2-(4-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 17190951
2-(4-ethylphenoxy)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
CID 133235749
(2S)-2-(4-fluorophenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 99131421
N-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenoxy)butanamide
CID 18864548
(2S)-2-(4-chlorophenoxy)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 100543248
2-(4-methoxyphenoxy)-N-(5-propan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
CID 133163990
2-(4-fluorophenoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)butanamide
CID 18853993
(2S)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 27991426
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-2-yloxybutanamide
CID 133235269
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenoxy)butanamide
CID 133210668

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of (2S)-2-(4-fluorophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide (CID 35042968) is (2S)-2-(4-fluorophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for (2S)-2-(4-fluorophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for (2S)-2-(4-fluorophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide is CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1nnc(C(C)C)s1.
What is the InChIKey of (2S)-2-(4-fluorophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is HCFUOLZVBPVUBP-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18FN3O2S/c1-4-12(21-11-7-5-10(16)6-8-11)13(20)17-15-19-18-14(22-15)9(2)3/h5-9,12H,4H2,1-3H3,(H,17,19,20)/t12-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide?
(2S)-2-(4-fluorophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 323.39 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 35042968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).