4,6-dimethyl-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carbothioamide

C14H17N3S2 — CID 62056556

IUPAC4,6-dimethyl-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carbothioamide
SMILESCc1cc(C)c(C(N)=S)c(NCc2ccc(C)s2)n1
InChIInChI=1S/C14H17N3S2/c1-8-6-9(2)17-14(12(8)13(15)18)16-7-11-5-4-10(3)19-11/h4-6H,7H2,1-3H3,(H2,15,18)(H,16,17)
InChIKeyRPRMXBZTARWVML-UHFFFAOYSA-N
MW291.45 g/mol
LogP3.31
Rot. Bonds4

About 4,6-dimethyl-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carbothioamide

4,6-dimethyl-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carbothioamide (PubChem CID 62056556) has the molecular formula C14H17N3S2 and a molecular weight of 291.45 g/mol. Its IUPAC name is 4,6-dimethyl-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carbothioamide.

Molecular Properties

Compound Name4,6-dimethyl-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carbothioamide
PubChem CID62056556
Molecular FormulaC14H17N3S2
Molecular Weight291.45 g/mol
Exact Mass291.09
IUPAC Name4,6-dimethyl-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carbothioamide
SMILESCc1cc(C)c(C(N)=S)c(NCc2ccc(C)s2)n1
InChIInChI=1S/C14H17N3S2/c1-8-6-9(2)17-14(12(8)13(15)18)16-7-11-5-4-10(3)19-11/h4-6H,7H2,1-3H3,(H2,15,18)(H,16,17)
InChIKeyRPRMXBZTARWVML-UHFFFAOYSA-N
XLogP3.31
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.45
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carbothioamide?
The IUPAC name of 4,6-dimethyl-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carbothioamide (CID 62056556) is 4,6-dimethyl-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carbothioamide.
What is the SMILES notation for 4,6-dimethyl-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carbothioamide?
The canonical SMILES for 4,6-dimethyl-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carbothioamide is Cc1cc(C)c(C(N)=S)c(NCc2ccc(C)s2)n1.
What is the InChIKey of 4,6-dimethyl-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carbothioamide?
The InChIKey is RPRMXBZTARWVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S2/c1-8-6-9(2)17-14(12(8)13(15)18)16-7-11-5-4-10(3)19-11/h4-6H,7H2,1-3H3,(H2,15,18)(H,16,17).
What are the key properties of 4,6-dimethyl-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carbothioamide?
4,6-dimethyl-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carbothioamide has a molecular weight of 291.45 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carbothioamide is sourced from PubChem (CID 62056556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).