N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide

C14H10BrN3OS2 — CID 4693045

IUPACN-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1nnc(-c2ccc(Br)cc2)s1
InChIInChI=1S/C14H10BrN3OS2/c15-10-5-3-9(4-6-10)13-17-18-14(21-13)16-12(19)8-11-2-1-7-20-11/h1-7H,8H2,(H,16,18,19)
InChIKeyHARSYXNIIBJECM-UHFFFAOYSA-N
MW380.29 g/mol
LogP4.21
Rot. Bonds4

About N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide

N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide (PubChem CID 4693045) has the molecular formula C14H10BrN3OS2 and a molecular weight of 380.29 g/mol. Its IUPAC name is N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
PubChem CID4693045
Molecular FormulaC14H10BrN3OS2
Molecular Weight380.29 g/mol
Exact Mass378.94
IUPAC NameN-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1nnc(-c2ccc(Br)cc2)s1
InChIInChI=1S/C14H10BrN3OS2/c15-10-5-3-9(4-6-10)13-17-18-14(21-13)16-12(19)8-11-2-1-7-20-11/h1-7H,8H2,(H,16,18,19)
InChIKeyHARSYXNIIBJECM-UHFFFAOYSA-N
XLogP4.21
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 1307564
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]propanamide
CID 42737034
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide
CID 17444449
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyoctanediamide
CID 142729811
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 17249186
N-[5-[(3,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 40833756
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 55334183
3-[butan-2-yl-(2-thiophen-2-ylacetyl)amino]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 42736937
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 4142881
N-(5-pyrrolidin-2-yl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylacetamide
CID 82176572
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-chlorophenoxy)acetamide
CID 16813800
2-(2-hydroxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 174783755

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide (CID 4693045) is N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1nnc(-c2ccc(Br)cc2)s1.
What is the InChIKey of N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
The InChIKey is HARSYXNIIBJECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3OS2/c15-10-5-3-9(4-6-10)13-17-18-14(21-13)16-12(19)8-11-2-1-7-20-11/h1-7H,8H2,(H,16,18,19).
What are the key properties of N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide?
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide has a molecular weight of 380.29 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 4693045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).