6-methoxypyridine-3-carbothioamide

C7H8N2OS — CID 2745979

IUPAC6-methoxypyridine-3-carbothioamide
SMILESCOc1ccc(C(N)=S)cn1
InChIInChI=1S/C7H8N2OS/c1-10-6-3-2-5(4-9-6)7(8)11/h2-4H,1H3,(H2,8,11)
InChIKeyYAKXWVMVPOHRGZ-UHFFFAOYSA-N
MW168.22 g/mol
LogP0.72
Rot. Bonds2

About 6-methoxypyridine-3-carbothioamide

6-methoxypyridine-3-carbothioamide (PubChem CID 2745979) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is 6-methoxypyridine-3-carbothioamide.

Molecular Properties

Compound Name6-methoxypyridine-3-carbothioamide
PubChem CID2745979
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC Name6-methoxypyridine-3-carbothioamide
SMILESCOc1ccc(C(N)=S)cn1
InChIInChI=1S/C7H8N2OS/c1-10-6-3-2-5(4-9-6)7(8)11/h2-4H,1H3,(H2,8,11)
InChIKeyYAKXWVMVPOHRGZ-UHFFFAOYSA-N
XLogP0.72
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methoxypyridine
CID 74201
6-Methoxy-3-pyridinylamine
CID 81121
2-Ethoxypyridine
CID 84499
(4-Methoxy-phenyl)-pyridin-3-ylmethyl-amine
CID 742765
(2-Methoxypyridin-4-yl)methanamine
CID 16227983
2-Methoxypyridin-4-amine
CID 280891
Allyl 2-pyridyl ether
CID 79906
(6-Methoxypyridin-3-yl)boronic acid
CID 2734368
(2-Methoxypyridin-3-yl)boronic acid
CID 2762709
2-Methoxy-5-(trifluoromethyl)pyridine
CID 2775312
Butyl 2-pyridyl ether
CID 95701
5-Iodo-2-methoxypyridine
CID 23423786

Frequently Asked Questions

What is the IUPAC name of 6-methoxypyridine-3-carbothioamide?
The IUPAC name of 6-methoxypyridine-3-carbothioamide (CID 2745979) is 6-methoxypyridine-3-carbothioamide.
What is the SMILES notation for 6-methoxypyridine-3-carbothioamide?
The canonical SMILES for 6-methoxypyridine-3-carbothioamide is COc1ccc(C(N)=S)cn1.
What is the InChIKey of 6-methoxypyridine-3-carbothioamide?
The InChIKey is YAKXWVMVPOHRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS/c1-10-6-3-2-5(4-9-6)7(8)11/h2-4H,1H3,(H2,8,11).
What are the key properties of 6-methoxypyridine-3-carbothioamide?
6-methoxypyridine-3-carbothioamide has a molecular weight of 168.22 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxypyridine-3-carbothioamide is sourced from PubChem (CID 2745979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).