2-(4-bromophenyl)sulfanyl-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide

C14H16BrN3OS2 — CID 55908702

IUPAC2-(4-bromophenyl)sulfanyl-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)(C)c1nnc(NC(=O)CSc2ccc(Br)cc2)s1
InChIInChI=1S/C14H16BrN3OS2/c1-14(2,3)12-17-18-13(21-12)16-11(19)8-20-10-6-4-9(15)5-7-10/h4-7H,8H2,1-3H3,(H,16,18,19)
InChIKeyDNDNFCLBELWNFF-UHFFFAOYSA-N
MW386.34 g/mol
LogP4.33
Rot. Bonds4

About 2-(4-bromophenyl)sulfanyl-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide

2-(4-bromophenyl)sulfanyl-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 55908702) has the molecular formula C14H16BrN3OS2 and a molecular weight of 386.34 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID55908702
Molecular FormulaC14H16BrN3OS2
Molecular Weight386.34 g/mol
Exact Mass384.99
IUPAC Name2-(4-bromophenyl)sulfanyl-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)(C)c1nnc(NC(=O)CSc2ccc(Br)cc2)s1
InChIInChI=1S/C14H16BrN3OS2/c1-14(2,3)12-17-18-13(21-12)16-11(19)8-20-10-6-4-9(15)5-7-10/h4-7H,8H2,1-3H3,(H,16,18,19)
InChIKeyDNDNFCLBELWNFF-UHFFFAOYSA-N
XLogP4.33
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.34
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenyl)sulfanyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 26068314
2-(4-bromophenyl)sulfanyl-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide
CID 16551571
2-phenylsulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 542592
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 9458694
2-(4-bromophenyl)sulfanyl-N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 16549507
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[(2-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 9458727
2-(4-tert-butylphenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 5219477
N-[4-[2-(4-bromoanilino)-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 22780247
(3R)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide
CID 1122478
(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamic acid
CID 68796251
2-(4-methylphenyl)sulfanyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 26902410
2-(4-bromophenyl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43390574

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide (CID 55908702) is 2-(4-bromophenyl)sulfanyl-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide is CC(C)(C)c1nnc(NC(=O)CSc2ccc(Br)cc2)s1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is DNDNFCLBELWNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3OS2/c1-14(2,3)12-17-18-13(21-12)16-11(19)8-20-10-6-4-9(15)5-7-10/h4-7H,8H2,1-3H3,(H,16,18,19).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4-bromophenyl)sulfanyl-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 386.34 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 55908702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).