4-(3-methylbutan-2-ylamino)pyridine-2-carbothioamide

C11H17N3S — CID 62926594

IUPAC4-(3-methylbutan-2-ylamino)pyridine-2-carbothioamide
SMILESCC(C)C(C)Nc1ccnc(C(N)=S)c1
InChIInChI=1S/C11H17N3S/c1-7(2)8(3)14-9-4-5-13-10(6-9)11(12)15/h4-8H,1-3H3,(H2,12,15)(H,13,14)
InChIKeyAAZLLZXDVPYBDV-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.17
Rot. Bonds4

About 4-(3-methylbutan-2-ylamino)pyridine-2-carbothioamide

4-(3-methylbutan-2-ylamino)pyridine-2-carbothioamide (PubChem CID 62926594) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 4-(3-methylbutan-2-ylamino)pyridine-2-carbothioamide.

Molecular Properties

Compound Name4-(3-methylbutan-2-ylamino)pyridine-2-carbothioamide
PubChem CID62926594
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name4-(3-methylbutan-2-ylamino)pyridine-2-carbothioamide
SMILESCC(C)C(C)Nc1ccnc(C(N)=S)c1
InChIInChI=1S/C11H17N3S/c1-7(2)8(3)14-9-4-5-13-10(6-9)11(12)15/h4-8H,1-3H3,(H2,12,15)(H,13,14)
InChIKeyAAZLLZXDVPYBDV-UHFFFAOYSA-N
XLogP2.17
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.17
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-(4,4,4-trifluorobutan-2-ylamino)pyridine-2-carbothioamide
CID 114130420
4-(1-cyclopropylethylamino)pyridine-2-carbothioamide
CID 62925384
4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-2-carbothioamide
CID 62927132
4-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-2-carbothioamide
CID 62926966
4-(1-pyridin-2-ylethylamino)pyridine-2-carbothioamide
CID 62925030
4-(methylamino)pyridine-2-carbothioamide
CID 62926395
4-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbothioamide
CID 62926107
4-(hexan-2-ylamino)pyridine-2-carbothioamide
CID 62924886
4-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-2-carbothioamide
CID 62926794
4-(4-propan-2-ylanilino)pyridine-2-carbothioamide
CID 55157612
4-[1-(furan-2-yl)propan-2-ylamino]pyridine-2-carbothioamide
CID 62925916
4-(2,2-difluoroethylamino)pyridine-2-carbothioamide
CID 115407232

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutan-2-ylamino)pyridine-2-carbothioamide?
The IUPAC name of 4-(3-methylbutan-2-ylamino)pyridine-2-carbothioamide (CID 62926594) is 4-(3-methylbutan-2-ylamino)pyridine-2-carbothioamide.
What is the SMILES notation for 4-(3-methylbutan-2-ylamino)pyridine-2-carbothioamide?
The canonical SMILES for 4-(3-methylbutan-2-ylamino)pyridine-2-carbothioamide is CC(C)C(C)Nc1ccnc(C(N)=S)c1.
What is the InChIKey of 4-(3-methylbutan-2-ylamino)pyridine-2-carbothioamide?
The InChIKey is AAZLLZXDVPYBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-7(2)8(3)14-9-4-5-13-10(6-9)11(12)15/h4-8H,1-3H3,(H2,12,15)(H,13,14).
What are the key properties of 4-(3-methylbutan-2-ylamino)pyridine-2-carbothioamide?
4-(3-methylbutan-2-ylamino)pyridine-2-carbothioamide has a molecular weight of 223.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutan-2-ylamino)pyridine-2-carbothioamide is sourced from PubChem (CID 62926594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).