4-(4-bromophenyl)-N-[(2S)-pentan-2-yl]thiadiazole-5-carboxamide

C14H16BrN3OS — CID 100751260

IUPAC4-(4-bromophenyl)-N-[(2S)-pentan-2-yl]thiadiazole-5-carboxamide
SMILESCCC[C@H](C)NC(=O)c1snnc1-c1ccc(Br)cc1
InChIInChI=1S/C14H16BrN3OS/c1-3-4-9(2)16-14(19)13-12(17-18-20-13)10-5-7-11(15)8-6-10/h5-9H,3-4H2,1-2H3,(H,16,19)/t9-/m0/s1
InChIKeyRPWCVXACLAIVPT-VIFPVBQESA-N
MW354.27 g/mol
LogP3.89
Rot. Bonds5

About 4-(4-bromophenyl)-N-[(2S)-pentan-2-yl]thiadiazole-5-carboxamide

4-(4-bromophenyl)-N-[(2S)-pentan-2-yl]thiadiazole-5-carboxamide (PubChem CID 100751260) has the molecular formula C14H16BrN3OS and a molecular weight of 354.27 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-[(2S)-pentan-2-yl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-[(2S)-pentan-2-yl]thiadiazole-5-carboxamide
PubChem CID100751260
Molecular FormulaC14H16BrN3OS
Molecular Weight354.27 g/mol
Exact Mass353.02
IUPAC Name4-(4-bromophenyl)-N-[(2S)-pentan-2-yl]thiadiazole-5-carboxamide
SMILESCCC[C@H](C)NC(=O)c1snnc1-c1ccc(Br)cc1
InChIInChI=1S/C14H16BrN3OS/c1-3-4-9(2)16-14(19)13-12(17-18-20-13)10-5-7-11(15)8-6-10/h5-9H,3-4H2,1-2H3,(H,16,19)/t9-/m0/s1
InChIKeyRPWCVXACLAIVPT-VIFPVBQESA-N
XLogP3.89
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromophenyl)-N-butan-2-ylthiadiazole-5-carboxamide
CID 133200556
4-(4-methylphenyl)-N-[(2R)-pentan-2-yl]thiadiazole-5-carboxamide
CID 100749107
4-(4-bromophenyl)-N-(4-phenylbutan-2-yl)thiadiazole-5-carboxamide
CID 133200560
4-(4-bromophenyl)-N-ethylthiadiazole-5-carboxamide
CID 100750357
4-(4-bromophenyl)-N-[1-(4-chlorophenyl)ethyl]thiadiazole-5-carboxamide
CID 133200562
4-(4-bromophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]thiadiazole-5-carboxamide
CID 100751426
4-(4-bromophenyl)-N-(2-ethylphenyl)thiadiazole-5-carboxamide
CID 100750626
4-(4-bromophenyl)-N-(2,6-dimethylphenyl)thiadiazole-5-carboxamide
CID 100750600
N-[1-(4-bromophenyl)ethyl]-4-propylthiadiazole-5-carboxamide
CID 65205384
4-(4-bromophenyl)-N-(2-phenylethyl)thiadiazole-5-carboxamide
CID 100750499
4-(4-bromophenyl)-N-(4-carbamoylphenyl)thiadiazole-5-carboxamide
CID 100750972
N-[(2S)-butan-2-yl]-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100751536

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-[(2S)-pentan-2-yl]thiadiazole-5-carboxamide?
The IUPAC name of 4-(4-bromophenyl)-N-[(2S)-pentan-2-yl]thiadiazole-5-carboxamide (CID 100751260) is 4-(4-bromophenyl)-N-[(2S)-pentan-2-yl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-(4-bromophenyl)-N-[(2S)-pentan-2-yl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-(4-bromophenyl)-N-[(2S)-pentan-2-yl]thiadiazole-5-carboxamide is CCC[C@H](C)NC(=O)c1snnc1-c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-N-[(2S)-pentan-2-yl]thiadiazole-5-carboxamide?
The InChIKey is RPWCVXACLAIVPT-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16BrN3OS/c1-3-4-9(2)16-14(19)13-12(17-18-20-13)10-5-7-11(15)8-6-10/h5-9H,3-4H2,1-2H3,(H,16,19)/t9-/m0/s1.
What are the key properties of 4-(4-bromophenyl)-N-[(2S)-pentan-2-yl]thiadiazole-5-carboxamide?
4-(4-bromophenyl)-N-[(2S)-pentan-2-yl]thiadiazole-5-carboxamide has a molecular weight of 354.27 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-[(2S)-pentan-2-yl]thiadiazole-5-carboxamide is sourced from PubChem (CID 100751260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).