N-[(2S)-butan-2-yl]-4-thiophen-2-ylthiadiazole-5-carboxamide

C11H13N3OS2 — CID 100751536

IUPACN-[(2S)-butan-2-yl]-4-thiophen-2-ylthiadiazole-5-carboxamide
SMILESCC[C@H](C)NC(=O)c1snnc1-c1cccs1
InChIInChI=1S/C11H13N3OS2/c1-3-7(2)12-11(15)10-9(13-14-17-10)8-5-4-6-16-8/h4-7H,3H2,1-2H3,(H,12,15)/t7-/m0/s1
InChIKeyRMUOTFOOJLZCLE-ZETCQYMHSA-N
MW267.38 g/mol
LogP2.79
Rot. Bonds4

About N-[(2S)-butan-2-yl]-4-thiophen-2-ylthiadiazole-5-carboxamide

N-[(2S)-butan-2-yl]-4-thiophen-2-ylthiadiazole-5-carboxamide (PubChem CID 100751536) has the molecular formula C11H13N3OS2 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-4-thiophen-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-4-thiophen-2-ylthiadiazole-5-carboxamide
PubChem CID100751536
Molecular FormulaC11H13N3OS2
Molecular Weight267.38 g/mol
Exact Mass267.05
IUPAC NameN-[(2S)-butan-2-yl]-4-thiophen-2-ylthiadiazole-5-carboxamide
SMILESCC[C@H](C)NC(=O)c1snnc1-c1cccs1
InChIInChI=1S/C11H13N3OS2/c1-3-7(2)12-11(15)10-9(13-14-17-10)8-5-4-6-16-8/h4-7H,3H2,1-2H3,(H,12,15)/t7-/m0/s1
InChIKeyRMUOTFOOJLZCLE-ZETCQYMHSA-N
XLogP2.79
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100752637
4-(4-bromophenyl)-N-butan-2-ylthiadiazole-5-carboxamide
CID 133200556
N-benzyl-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100751617
N-(4-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100751902
N-(4-chlorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100751925
N-(2-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100751885
4-(4-methylphenyl)-N-[(2R)-pentan-2-yl]thiadiazole-5-carboxamide
CID 100749107
N-(3-chlorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100751917
4-(4-bromophenyl)-N-[(2S)-pentan-2-yl]thiadiazole-5-carboxamide
CID 100751260
N-(3-chloro-4-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100752070
N-butan-2-yl-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879446
morpholin-4-yl-(4-thiophen-2-ylthiadiazol-5-yl)methanone
CID 100752350

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-4-thiophen-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-4-thiophen-2-ylthiadiazole-5-carboxamide (CID 100751536) is N-[(2S)-butan-2-yl]-4-thiophen-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-4-thiophen-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-4-thiophen-2-ylthiadiazole-5-carboxamide is CC[C@H](C)NC(=O)c1snnc1-c1cccs1.
What is the InChIKey of N-[(2S)-butan-2-yl]-4-thiophen-2-ylthiadiazole-5-carboxamide?
The InChIKey is RMUOTFOOJLZCLE-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H13N3OS2/c1-3-7(2)12-11(15)10-9(13-14-17-10)8-5-4-6-16-8/h4-7H,3H2,1-2H3,(H,12,15)/t7-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-4-thiophen-2-ylthiadiazole-5-carboxamide?
N-[(2S)-butan-2-yl]-4-thiophen-2-ylthiadiazole-5-carboxamide has a molecular weight of 267.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-4-thiophen-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 100751536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).