6-[(5-bromothiophen-2-yl)methylamino]pyridine-2-carbothioamide

C11H10BrN3S2 — CID 64595487

IUPAC6-[(5-bromothiophen-2-yl)methylamino]pyridine-2-carbothioamide
SMILESNC(=S)c1cccc(NCc2ccc(Br)s2)n1
InChIInChI=1S/C11H10BrN3S2/c12-9-5-4-7(17-9)6-14-10-3-1-2-8(15-10)11(13)16/h1-5H,6H2,(H2,13,16)(H,14,15)
InChIKeyWNKGEGQRSACTSN-UHFFFAOYSA-N
MW328.26 g/mol
LogP3.15
Rot. Bonds4

About 6-[(5-bromothiophen-2-yl)methylamino]pyridine-2-carbothioamide

6-[(5-bromothiophen-2-yl)methylamino]pyridine-2-carbothioamide (PubChem CID 64595487) has the molecular formula C11H10BrN3S2 and a molecular weight of 328.26 g/mol. Its IUPAC name is 6-[(5-bromothiophen-2-yl)methylamino]pyridine-2-carbothioamide.

Molecular Properties

Compound Name6-[(5-bromothiophen-2-yl)methylamino]pyridine-2-carbothioamide
PubChem CID64595487
Molecular FormulaC11H10BrN3S2
Molecular Weight328.26 g/mol
Exact Mass326.95
IUPAC Name6-[(5-bromothiophen-2-yl)methylamino]pyridine-2-carbothioamide
SMILESNC(=S)c1cccc(NCc2ccc(Br)s2)n1
InChIInChI=1S/C11H10BrN3S2/c12-9-5-4-7(17-9)6-14-10-3-1-2-8(15-10)11(13)16/h1-5H,6H2,(H2,13,16)(H,14,15)
InChIKeyWNKGEGQRSACTSN-UHFFFAOYSA-N
XLogP3.15
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.26
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-[2-(5-bromothiophen-2-yl)ethylamino]pyridine-2-carbothioamide
CID 106036602
6-[(5-methylthiophen-2-yl)methylamino]pyridine-2-carbothioamide
CID 64596062
6-[(4-bromothiophen-2-yl)methylamino]pyridine-2-carbothioamide
CID 64595488
6-(ethylamino)pyridine-2-carbothioamide
CID 64587628
6-(thiophen-3-ylmethylamino)pyridine-2-carbothioamide
CID 64594893
3-[(5-bromothiophen-2-yl)methylamino]pyridazine-4-carbothioamide
CID 80511772
4-[(5-bromothiophen-2-yl)methylamino]-2,6-dimethylpyridine-3-carbothioamide
CID 81054915
N-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80911739
6-[(3-chloro-4-fluorophenyl)methylamino]pyridine-2-carbothioamide
CID 64596457
2-[(6-carbamothioyl-2-pyridinyl)amino]ethyl carbamate
CID 83205321
N-[(5-bromothiophen-2-yl)methyl]-1,2-oxazol-3-amine
CID 130611411
5-[(5-bromothiophen-2-yl)methylamino]naphthalen-1-ol
CID 43742993

Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromothiophen-2-yl)methylamino]pyridine-2-carbothioamide?
The IUPAC name of 6-[(5-bromothiophen-2-yl)methylamino]pyridine-2-carbothioamide (CID 64595487) is 6-[(5-bromothiophen-2-yl)methylamino]pyridine-2-carbothioamide.
What is the SMILES notation for 6-[(5-bromothiophen-2-yl)methylamino]pyridine-2-carbothioamide?
The canonical SMILES for 6-[(5-bromothiophen-2-yl)methylamino]pyridine-2-carbothioamide is NC(=S)c1cccc(NCc2ccc(Br)s2)n1.
What is the InChIKey of 6-[(5-bromothiophen-2-yl)methylamino]pyridine-2-carbothioamide?
The InChIKey is WNKGEGQRSACTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3S2/c12-9-5-4-7(17-9)6-14-10-3-1-2-8(15-10)11(13)16/h1-5H,6H2,(H2,13,16)(H,14,15).
What are the key properties of 6-[(5-bromothiophen-2-yl)methylamino]pyridine-2-carbothioamide?
6-[(5-bromothiophen-2-yl)methylamino]pyridine-2-carbothioamide has a molecular weight of 328.26 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-bromothiophen-2-yl)methylamino]pyridine-2-carbothioamide is sourced from PubChem (CID 64595487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).