4-(methylamino)pyridine-2-carbothioamide

C7H9N3S — CID 62926395

IUPAC4-(methylamino)pyridine-2-carbothioamide
SMILESCNc1ccnc(C(N)=S)c1
InChIInChI=1S/C7H9N3S/c1-9-5-2-3-10-6(4-5)7(8)11/h2-4H,1H3,(H2,8,11)(H,9,10)
InChIKeyKPPNWDNPSACYLA-UHFFFAOYSA-N
MW167.24 g/mol
LogP0.76
Rot. Bonds2

About 4-(methylamino)pyridine-2-carbothioamide

4-(methylamino)pyridine-2-carbothioamide (PubChem CID 62926395) has the molecular formula C7H9N3S and a molecular weight of 167.24 g/mol. Its IUPAC name is 4-(methylamino)pyridine-2-carbothioamide.

Molecular Properties

Compound Name4-(methylamino)pyridine-2-carbothioamide
PubChem CID62926395
Molecular FormulaC7H9N3S
Molecular Weight167.24 g/mol
Exact Mass167.05
IUPAC Name4-(methylamino)pyridine-2-carbothioamide
SMILESCNc1ccnc(C(N)=S)c1
InChIInChI=1S/C7H9N3S/c1-9-5-2-3-10-6(4-5)7(8)11/h2-4H,1H3,(H2,8,11)(H,9,10)
InChIKeyKPPNWDNPSACYLA-UHFFFAOYSA-N
XLogP0.76
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.24
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methylbutan-2-ylamino)pyridine-2-carbothioamide
CID 62926594
4-(4-propan-2-ylanilino)pyridine-2-carbothioamide
CID 55157612
4-(1-cyclopropylethylamino)pyridine-2-carbothioamide
CID 62925384
4-(thiophen-3-ylamino)pyridine-2-carbothioamide
CID 66356058
4-(2,2-difluoroethylamino)pyridine-2-carbothioamide
CID 115407232
4-(1-pyridin-2-ylethylamino)pyridine-2-carbothioamide
CID 62925030
4-(piperidin-1-ylamino)pyridine-2-carbothioamide
CID 83017001
4-(2,4,5-trichloroanilino)pyridine-2-carbothioamide
CID 63519381
4-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbothioamide
CID 62926107
ethyl 2-[(2-carbamothioyl-4-pyridinyl)amino]acetate
CID 62925037
4-(4,4,4-trifluorobutan-2-ylamino)pyridine-2-carbothioamide
CID 114130420
4-(hexan-2-ylamino)pyridine-2-carbothioamide
CID 62924886

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)pyridine-2-carbothioamide?
The IUPAC name of 4-(methylamino)pyridine-2-carbothioamide (CID 62926395) is 4-(methylamino)pyridine-2-carbothioamide.
What is the SMILES notation for 4-(methylamino)pyridine-2-carbothioamide?
The canonical SMILES for 4-(methylamino)pyridine-2-carbothioamide is CNc1ccnc(C(N)=S)c1.
What is the InChIKey of 4-(methylamino)pyridine-2-carbothioamide?
The InChIKey is KPPNWDNPSACYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3S/c1-9-5-2-3-10-6(4-5)7(8)11/h2-4H,1H3,(H2,8,11)(H,9,10).
What are the key properties of 4-(methylamino)pyridine-2-carbothioamide?
4-(methylamino)pyridine-2-carbothioamide has a molecular weight of 167.24 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)pyridine-2-carbothioamide is sourced from PubChem (CID 62926395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).