N-[(5-bromothiophen-2-yl)methyl]-4-ethylthiadiazole-5-carboxamide

C10H10BrN3OS2 — CID 32778659

IUPACN-[(5-bromothiophen-2-yl)methyl]-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCc1ccc(Br)s1
InChIInChI=1S/C10H10BrN3OS2/c1-2-7-9(17-14-13-7)10(15)12-5-6-3-4-8(11)16-6/h3-4H,2,5H2,1H3,(H,12,15)
InChIKeyXSRCPVGWVHPNBU-UHFFFAOYSA-N
MW332.25 g/mol
LogP2.85
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-4-ethylthiadiazole-5-carboxamide

N-[(5-bromothiophen-2-yl)methyl]-4-ethylthiadiazole-5-carboxamide (PubChem CID 32778659) has the molecular formula C10H10BrN3OS2 and a molecular weight of 332.25 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-4-ethylthiadiazole-5-carboxamide
PubChem CID32778659
Molecular FormulaC10H10BrN3OS2
Molecular Weight332.25 g/mol
Exact Mass330.94
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCc1ccc(Br)s1
InChIInChI=1S/C10H10BrN3OS2/c1-2-7-9(17-14-13-7)10(15)12-5-6-3-4-8(11)16-6/h3-4H,2,5H2,1H3,(H,12,15)
InChIKeyXSRCPVGWVHPNBU-UHFFFAOYSA-N
XLogP2.85
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-4-ethylthiadiazole-5-carboxamide (CID 32778659) is N-[(5-bromothiophen-2-yl)methyl]-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)NCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-4-ethylthiadiazole-5-carboxamide?
The InChIKey is XSRCPVGWVHPNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3OS2/c1-2-7-9(17-14-13-7)10(15)12-5-6-3-4-8(11)16-6/h3-4H,2,5H2,1H3,(H,12,15).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-4-ethylthiadiazole-5-carboxamide?
N-[(5-bromothiophen-2-yl)methyl]-4-ethylthiadiazole-5-carboxamide has a molecular weight of 332.25 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 32778659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).