3-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylbutanamide

C16H21N3O2S — CID 110024955

IUPAC3-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylbutanamide
SMILESCC(C)Cc1nnc(NC(=O)CC(C)(O)c2ccccc2)s1
InChIInChI=1S/C16H21N3O2S/c1-11(2)9-14-18-19-15(22-14)17-13(20)10-16(3,21)12-7-5-4-6-8-12/h4-8,11,21H,9-10H2,1-3H3,(H,17,19,20)
InChIKeyUICQKHOBEKCQTG-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.97
Rot. Bonds6

About 3-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylbutanamide

3-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylbutanamide (PubChem CID 110024955) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 3-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylbutanamide.

Molecular Properties

Compound Name3-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylbutanamide
PubChem CID110024955
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name3-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylbutanamide
SMILESCC(C)Cc1nnc(NC(=O)CC(C)(O)c2ccccc2)s1
InChIInChI=1S/C16H21N3O2S/c1-11(2)9-14-18-19-15(22-14)17-13(20)10-16(3,21)12-7-5-4-6-8-12/h4-8,11,21H,9-10H2,1-3H3,(H,17,19,20)
InChIKeyUICQKHOBEKCQTG-UHFFFAOYSA-N
XLogP2.97
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-hydroxy-3-phenylbutanamide
CID 110024954
2-(benzenesulfonyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 17257226
N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-N-naphthalen-1-ylbutanediamide
CID 1399795
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56540384
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 825378
2-(2-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 8750095
2-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 119264571
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-phenylcyclopropane-1-carboxamide
CID 29456239
2-(2-methoxyphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 3388491
4,4,4-trifluoro-3-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 47841743
3-bromo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 103601483
2-(methylamino)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 91654516

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylbutanamide?
The IUPAC name of 3-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylbutanamide (CID 110024955) is 3-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylbutanamide.
What is the SMILES notation for 3-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylbutanamide?
The canonical SMILES for 3-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylbutanamide is CC(C)Cc1nnc(NC(=O)CC(C)(O)c2ccccc2)s1.
What is the InChIKey of 3-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylbutanamide?
The InChIKey is UICQKHOBEKCQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-11(2)9-14-18-19-15(22-14)17-13(20)10-16(3,21)12-7-5-4-6-8-12/h4-8,11,21H,9-10H2,1-3H3,(H,17,19,20).
What are the key properties of 3-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylbutanamide?
3-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylbutanamide has a molecular weight of 319.43 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylbutanamide is sourced from PubChem (CID 110024955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).