4-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-2-carbothioamide

C14H17N3S2 — CID 62926966

IUPAC4-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-2-carbothioamide
SMILESCC(C)C(Nc1ccnc(C(N)=S)c1)c1cccs1
InChIInChI=1S/C14H17N3S2/c1-9(2)13(12-4-3-7-19-12)17-10-5-6-16-11(8-10)14(15)18/h3-9,13H,1-2H3,(H2,15,18)(H,16,17)
InChIKeyXQRMWKNZRPBOER-UHFFFAOYSA-N
MW291.45 g/mol
LogP3.59
Rot. Bonds5

About 4-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-2-carbothioamide

4-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-2-carbothioamide (PubChem CID 62926966) has the molecular formula C14H17N3S2 and a molecular weight of 291.45 g/mol. Its IUPAC name is 4-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-2-carbothioamide.

Molecular Properties

Compound Name4-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-2-carbothioamide
PubChem CID62926966
Molecular FormulaC14H17N3S2
Molecular Weight291.45 g/mol
Exact Mass291.09
IUPAC Name4-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-2-carbothioamide
SMILESCC(C)C(Nc1ccnc(C(N)=S)c1)c1cccs1
InChIInChI=1S/C14H17N3S2/c1-9(2)13(12-4-3-7-19-12)17-10-5-6-16-11(8-10)14(15)18/h3-9,13H,1-2H3,(H2,15,18)(H,16,17)
InChIKeyXQRMWKNZRPBOER-UHFFFAOYSA-N
XLogP3.59
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.45
LogP ≤ 53.59
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

4-(3-methylbutan-2-ylamino)pyridine-2-carbothioamide
CID 62926594
4-(1-pyridin-2-ylethylamino)pyridine-2-carbothioamide
CID 62925030
4-(1-cyclopropylethylamino)pyridine-2-carbothioamide
CID 62925384
4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-2-carbothioamide
CID 62927132
4-(methylamino)pyridine-2-carbothioamide
CID 62926395
4-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbothioamide
CID 62926107
4-(4,4,4-trifluorobutan-2-ylamino)pyridine-2-carbothioamide
CID 114130420
4-(hexan-2-ylamino)pyridine-2-carbothioamide
CID 62924886
N,N-dimethyl-4-(1-thiophen-2-ylethylamino)pyridine-2-carboxamide
CID 43402714
4-[1-(furan-2-yl)propan-2-ylamino]pyridine-2-carbothioamide
CID 62925916
3,4-dimethoxy-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43760000
4-(4-propan-2-ylanilino)pyridine-2-carbothioamide
CID 55157612

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-2-carbothioamide?
The IUPAC name of 4-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-2-carbothioamide (CID 62926966) is 4-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-2-carbothioamide.
What is the SMILES notation for 4-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-2-carbothioamide?
The canonical SMILES for 4-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-2-carbothioamide is CC(C)C(Nc1ccnc(C(N)=S)c1)c1cccs1.
What is the InChIKey of 4-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-2-carbothioamide?
The InChIKey is XQRMWKNZRPBOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S2/c1-9(2)13(12-4-3-7-19-12)17-10-5-6-16-11(8-10)14(15)18/h3-9,13H,1-2H3,(H2,15,18)(H,16,17).
What are the key properties of 4-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-2-carbothioamide?
4-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-2-carbothioamide has a molecular weight of 291.45 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-2-carbothioamide is sourced from PubChem (CID 62926966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).