N-[1-(4-bromophenyl)propan-2-yl]-5-chloro-1,3,4-thiadiazole-2-carboxamide

C12H11BrClN3OS — CID 80625854

IUPACN-[1-(4-bromophenyl)propan-2-yl]-5-chloro-1,3,4-thiadiazole-2-carboxamide
SMILESCC(Cc1ccc(Br)cc1)NC(=O)c1nnc(Cl)s1
InChIInChI=1S/C12H11BrClN3OS/c1-7(6-8-2-4-9(13)5-3-8)15-10(18)11-16-17-12(14)19-11/h2-5,7H,6H2,1H3,(H,15,18)
InChIKeyNTSQUBKXYUNMOQ-UHFFFAOYSA-N
MW360.66 g/mol
LogP3.32
Rot. Bonds4

About N-[1-(4-bromophenyl)propan-2-yl]-5-chloro-1,3,4-thiadiazole-2-carboxamide

N-[1-(4-bromophenyl)propan-2-yl]-5-chloro-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80625854) has the molecular formula C12H11BrClN3OS and a molecular weight of 360.66 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propan-2-yl]-5-chloro-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propan-2-yl]-5-chloro-1,3,4-thiadiazole-2-carboxamide
PubChem CID80625854
Molecular FormulaC12H11BrClN3OS
Molecular Weight360.66 g/mol
Exact Mass358.95
IUPAC NameN-[1-(4-bromophenyl)propan-2-yl]-5-chloro-1,3,4-thiadiazole-2-carboxamide
SMILESCC(Cc1ccc(Br)cc1)NC(=O)c1nnc(Cl)s1
InChIInChI=1S/C12H11BrClN3OS/c1-7(6-8-2-4-9(13)5-3-8)15-10(18)11-16-17-12(14)19-11/h2-5,7H,6H2,1H3,(H,15,18)
InChIKeyNTSQUBKXYUNMOQ-UHFFFAOYSA-N
XLogP3.32
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.66
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-bromophenyl)propan-2-yl]-4-chloropyridine-2-carboxamide
CID 55716947
5-bromo-N-[1-(4-bromophenyl)propan-2-yl]thiophene-2-carboxamide
CID 47210807
5-bromo-N-[1-(4-bromophenyl)propan-2-yl]pyridine-2-carboxamide
CID 62953884
N-[1-(4-fluorophenyl)propan-2-yl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616493
N-(4-bromophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625889
5-chloro-N-(1-hydroxy-3-phenylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80618194
5-chloro-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide
CID 80625648
5-chloro-N-(1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625100
N-[1-(4-bromophenyl)propan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 47210931
N-[(2R)-1-(4-bromophenyl)propan-2-yl]pyridine-3-carboxamide
CID 51948817
3-[1-(4-bromophenyl)propan-2-ylamino]-3-oxopropanoic acid
CID 62230124
5-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80626070

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propan-2-yl]-5-chloro-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)propan-2-yl]-5-chloro-1,3,4-thiadiazole-2-carboxamide (CID 80625854) is N-[1-(4-bromophenyl)propan-2-yl]-5-chloro-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)propan-2-yl]-5-chloro-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)propan-2-yl]-5-chloro-1,3,4-thiadiazole-2-carboxamide is CC(Cc1ccc(Br)cc1)NC(=O)c1nnc(Cl)s1.
What is the InChIKey of N-[1-(4-bromophenyl)propan-2-yl]-5-chloro-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is NTSQUBKXYUNMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3OS/c1-7(6-8-2-4-9(13)5-3-8)15-10(18)11-16-17-12(14)19-11/h2-5,7H,6H2,1H3,(H,15,18).
What are the key properties of N-[1-(4-bromophenyl)propan-2-yl]-5-chloro-1,3,4-thiadiazole-2-carboxamide?
N-[1-(4-bromophenyl)propan-2-yl]-5-chloro-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 360.66 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propan-2-yl]-5-chloro-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80625854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).