N-(4-bromophenyl)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetamide

C11H10BrN5O2S — CID 47257817

IUPACN-(4-bromophenyl)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetamide
SMILESO=C(CNC(=O)Nc1nncs1)Nc1ccc(Br)cc1
InChIInChI=1S/C11H10BrN5O2S/c12-7-1-3-8(4-2-7)15-9(18)5-13-10(19)16-11-17-14-6-20-11/h1-4,6H,5H2,(H,15,18)(H2,13,16,17,19)
InChIKeyFAXPUJQGVPBTLT-UHFFFAOYSA-N
MW356.21 g/mol
LogP2.06
Rot. Bonds4

About N-(4-bromophenyl)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetamide

N-(4-bromophenyl)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetamide (PubChem CID 47257817) has the molecular formula C11H10BrN5O2S and a molecular weight of 356.21 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetamide
PubChem CID47257817
Molecular FormulaC11H10BrN5O2S
Molecular Weight356.21 g/mol
Exact Mass354.97
IUPAC NameN-(4-bromophenyl)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetamide
SMILESO=C(CNC(=O)Nc1nncs1)Nc1ccc(Br)cc1
InChIInChI=1S/C11H10BrN5O2S/c12-7-1-3-8(4-2-7)15-9(18)5-13-10(19)16-11-17-14-6-20-11/h1-4,6H,5H2,(H,15,18)(H2,13,16,17,19)
InChIKeyFAXPUJQGVPBTLT-UHFFFAOYSA-N
XLogP2.06
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-bromophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 60605382
5-bromo-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]furan-2-carboxamide
CID 29370156
2-amino-N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]acetamide
CID 130157493
N-[2-(4-bromoanilino)-2-oxoethyl]-N'-(4-methylphenyl)oxamide
CID 124626154
N-(4-bromophenyl)-2-(cyclopropylmethylcarbamoylamino)acetamide
CID 47323048
N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 29370149
N-[2-(4-bromoanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36899593
3-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid
CID 61192939
N-(4-methoxyphenyl)-2-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]sulfanylacetamide
CID 9457748
N-[2-(4-bromoanilino)-2-oxoethyl]-3-methylthiophene-2-carboxamide
CID 47309174
N-(3-methylphenyl)-2-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]sulfanylacetamide
CID 30550797
1-[4-(1-hydroxyethyl)phenyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 61346278

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetamide (CID 47257817) is N-(4-bromophenyl)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetamide is O=C(CNC(=O)Nc1nncs1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetamide?
The InChIKey is FAXPUJQGVPBTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN5O2S/c12-7-1-3-8(4-2-7)15-9(18)5-13-10(19)16-11-17-14-6-20-11/h1-4,6H,5H2,(H,15,18)(H2,13,16,17,19).
What are the key properties of N-(4-bromophenyl)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetamide?
N-(4-bromophenyl)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetamide has a molecular weight of 356.21 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)acetamide is sourced from PubChem (CID 47257817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).