1-(5-bromo-1,3,4-thiadiazol-2-yl)-N-methylpiperidine-4-carboxamide;sulfane

C9H15BrN4OS2 — CID 153404952

IUPAC1-(5-bromo-1,3,4-thiadiazol-2-yl)-N-methylpiperidine-4-carboxamide;sulfane
SMILESCNC(=O)C1CCN(c2nnc(Br)s2)CC1.S
InChIInChI=1S/C9H13BrN4OS.H2S/c1-11-7(15)6-2-4-14(5-3-6)9-13-12-8(10)16-9;/h6H,2-5H2,1H3,(H,11,15);1H2
InChIKeyBUZRNBWIYWPYTJ-UHFFFAOYSA-N
MW339.28 g/mol
LogP1.38
Rot. Bonds2

About 1-(5-bromo-1,3,4-thiadiazol-2-yl)-N-methylpiperidine-4-carboxamide;sulfane

1-(5-bromo-1,3,4-thiadiazol-2-yl)-N-methylpiperidine-4-carboxamide;sulfane (PubChem CID 153404952) has the molecular formula C9H15BrN4OS2 and a molecular weight of 339.28 g/mol. Its IUPAC name is 1-(5-bromo-1,3,4-thiadiazol-2-yl)-N-methylpiperidine-4-carboxamide;sulfane.

Molecular Properties

Compound Name1-(5-bromo-1,3,4-thiadiazol-2-yl)-N-methylpiperidine-4-carboxamide;sulfane
PubChem CID153404952
Molecular FormulaC9H15BrN4OS2
Molecular Weight339.28 g/mol
Exact Mass337.99
IUPAC Name1-(5-bromo-1,3,4-thiadiazol-2-yl)-N-methylpiperidine-4-carboxamide;sulfane
SMILESCNC(=O)C1CCN(c2nnc(Br)s2)CC1.S
InChIInChI=1S/C9H13BrN4OS.H2S/c1-11-7(15)6-2-4-14(5-3-6)9-13-12-8(10)16-9;/h6H,2-5H2,1H3,(H,11,15);1H2
InChIKeyBUZRNBWIYWPYTJ-UHFFFAOYSA-N
XLogP1.38
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate
CID 146382334
N-[1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidin-4-yl]acetamide;ethane
CID 153404964
1-(5-bromo-1,3,4-thiadiazol-2-yl)-N-methylpyrrolidine-2-carboxamide
CID 64623898
[1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidin-4-yl] carbamate
CID 170162412
tert-butyl 4-[4-(5-bromo-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]piperidine-1-carboxylate
CID 156836449
1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid
CID 65209414
methyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate
CID 64914175
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-N-methylpiperidine-3-carboxamide
CID 166605809
1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 112698998
N,1-dimethylpiperidine-4-carboxamide;ethane
CID 156719814
1-(5-amino-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid
CID 6917210
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpiperidine-4-carboxamide
CID 71802530

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1,3,4-thiadiazol-2-yl)-N-methylpiperidine-4-carboxamide;sulfane?
The IUPAC name of 1-(5-bromo-1,3,4-thiadiazol-2-yl)-N-methylpiperidine-4-carboxamide;sulfane (CID 153404952) is 1-(5-bromo-1,3,4-thiadiazol-2-yl)-N-methylpiperidine-4-carboxamide;sulfane.
What is the SMILES notation for 1-(5-bromo-1,3,4-thiadiazol-2-yl)-N-methylpiperidine-4-carboxamide;sulfane?
The canonical SMILES for 1-(5-bromo-1,3,4-thiadiazol-2-yl)-N-methylpiperidine-4-carboxamide;sulfane is CNC(=O)C1CCN(c2nnc(Br)s2)CC1.S.
What is the InChIKey of 1-(5-bromo-1,3,4-thiadiazol-2-yl)-N-methylpiperidine-4-carboxamide;sulfane?
The InChIKey is BUZRNBWIYWPYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4OS.H2S/c1-11-7(15)6-2-4-14(5-3-6)9-13-12-8(10)16-9;/h6H,2-5H2,1H3,(H,11,15);1H2.
What are the key properties of 1-(5-bromo-1,3,4-thiadiazol-2-yl)-N-methylpiperidine-4-carboxamide;sulfane?
1-(5-bromo-1,3,4-thiadiazol-2-yl)-N-methylpiperidine-4-carboxamide;sulfane has a molecular weight of 339.28 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1,3,4-thiadiazol-2-yl)-N-methylpiperidine-4-carboxamide;sulfane is sourced from PubChem (CID 153404952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).