N-(3-bromophenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide

C15H17BrN4O2S — CID 1402591

IUPACN-(3-bromophenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide
SMILESCCCc1nnc(NC(=O)CCC(=O)Nc2cccc(Br)c2)s1
InChIInChI=1S/C15H17BrN4O2S/c1-2-4-14-19-20-15(23-14)18-13(22)8-7-12(21)17-11-6-3-5-10(16)9-11/h3,5-6,9H,2,4,7-8H2,1H3,(H,17,21)(H,18,20,22)
InChIKeyQEIGUIVUDDOPKC-UHFFFAOYSA-N
MW397.30 g/mol
LogP3.61
Rot. Bonds7

About N-(3-bromophenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide

N-(3-bromophenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide (PubChem CID 1402591) has the molecular formula C15H17BrN4O2S and a molecular weight of 397.30 g/mol. Its IUPAC name is N-(3-bromophenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide
PubChem CID1402591
Molecular FormulaC15H17BrN4O2S
Molecular Weight397.30 g/mol
Exact Mass396.03
IUPAC NameN-(3-bromophenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide
SMILESCCCc1nnc(NC(=O)CCC(=O)Nc2cccc(Br)c2)s1
InChIInChI=1S/C15H17BrN4O2S/c1-2-4-14-19-20-15(23-14)18-13(22)8-7-12(21)17-11-6-3-5-10(16)9-11/h3,5-6,9H,2,4,7-8H2,1H3,(H,17,21)(H,18,20,22)
InChIKeyQEIGUIVUDDOPKC-UHFFFAOYSA-N
XLogP3.61
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.30
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromophenyl)-N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanediamide
CID 1416510
N-(3-methylphenyl)-2-[2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanylacetamide
CID 78792369
N-(3-bromophenyl)-N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 1398596
2-(3-bromophenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 7924008
5-bromo-N-[3-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 55774014
2-(4-bromo-2-ethylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19202963
3-[(4-bromophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 34111798
N-(3-bromophenyl)heptanamide
CID 4596383
3-(2-bromo-4,5-dimethoxyphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
CID 1406350
3-(butanoylamino)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 35540680
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 55965735
3-(methanesulfonamido)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 34111874

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide?
The IUPAC name of N-(3-bromophenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide (CID 1402591) is N-(3-bromophenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide.
What is the SMILES notation for N-(3-bromophenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide?
The canonical SMILES for N-(3-bromophenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide is CCCc1nnc(NC(=O)CCC(=O)Nc2cccc(Br)c2)s1.
What is the InChIKey of N-(3-bromophenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide?
The InChIKey is QEIGUIVUDDOPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O2S/c1-2-4-14-19-20-15(23-14)18-13(22)8-7-12(21)17-11-6-3-5-10(16)9-11/h3,5-6,9H,2,4,7-8H2,1H3,(H,17,21)(H,18,20,22).
What are the key properties of N-(3-bromophenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide?
N-(3-bromophenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide has a molecular weight of 397.30 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide is sourced from PubChem (CID 1402591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).