N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-(2-phenylethyl)butanediamide

C18H24N4O2S — CID 2005532

IUPACN'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-(2-phenylethyl)butanediamide
SMILESCC(C)(C)c1nnc(NC(=O)CCC(=O)NCCc2ccccc2)s1
InChIInChI=1S/C18H24N4O2S/c1-18(2,3)16-21-22-17(25-16)20-15(24)10-9-14(23)19-12-11-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,19,23)(H,20,22,24)
InChIKeyZCPLLZIYGSJZLC-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.91
Rot. Bonds7

About N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-(2-phenylethyl)butanediamide

N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-(2-phenylethyl)butanediamide (PubChem CID 2005532) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-(2-phenylethyl)butanediamide.

Molecular Properties

Compound NameN'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-(2-phenylethyl)butanediamide
PubChem CID2005532
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-(2-phenylethyl)butanediamide
SMILESCC(C)(C)c1nnc(NC(=O)CCC(=O)NCCc2ccccc2)s1
InChIInChI=1S/C18H24N4O2S/c1-18(2,3)16-21-22-17(25-16)20-15(24)10-9-14(23)19-12-11-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,19,23)(H,20,22,24)
InChIKeyZCPLLZIYGSJZLC-UHFFFAOYSA-N
XLogP2.91
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-butylphenyl)-N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 2024828
4-phenyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 2175175
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 769200
N-benzyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 940795
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-[4-(prop-2-enoylamino)phenyl]propanamide
CID 166422102
(3R)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide
CID 1122478
3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 119319888
tert-butyl 4-oxo-4-(2-phenylethylamino)butanoate
CID 106706933
1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-[2-(4-prop-2-ynoxyphenyl)ethyl]urea
CID 86875421
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(3-oxo-1,2-benzothiazol-2-yl)propanamide
CID 45493521
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 55907017
4-amino-N-(2-phenylethyl)-4-sulfanylidenebutanamide
CID 94263404

Frequently Asked Questions

What is the IUPAC name of N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-(2-phenylethyl)butanediamide?
The IUPAC name of N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-(2-phenylethyl)butanediamide (CID 2005532) is N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-(2-phenylethyl)butanediamide.
What is the SMILES notation for N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-(2-phenylethyl)butanediamide?
The canonical SMILES for N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-(2-phenylethyl)butanediamide is CC(C)(C)c1nnc(NC(=O)CCC(=O)NCCc2ccccc2)s1.
What is the InChIKey of N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-(2-phenylethyl)butanediamide?
The InChIKey is ZCPLLZIYGSJZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-18(2,3)16-21-22-17(25-16)20-15(24)10-9-14(23)19-12-11-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,19,23)(H,20,22,24).
What are the key properties of N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-(2-phenylethyl)butanediamide?
N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-(2-phenylethyl)butanediamide has a molecular weight of 360.48 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-(2-phenylethyl)butanediamide is sourced from PubChem (CID 2005532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).