2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-6-methylpyridine-4-carbothioamide

C14H18N4S2 — CID 114767412

IUPAC2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-6-methylpyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(NC(C)c2sc(C)nc2C)n1
InChIInChI=1S/C14H18N4S2/c1-7-5-11(14(15)19)6-12(16-7)18-9(3)13-8(2)17-10(4)20-13/h5-6,9H,1-4H3,(H2,15,19)(H,16,18)
InChIKeyQPVXVSGEUBBKRP-UHFFFAOYSA-N
MW306.46 g/mol
LogP3.27
Rot. Bonds4

About 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-6-methylpyridine-4-carbothioamide

2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-6-methylpyridine-4-carbothioamide (PubChem CID 114767412) has the molecular formula C14H18N4S2 and a molecular weight of 306.46 g/mol. Its IUPAC name is 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-6-methylpyridine-4-carbothioamide.

Molecular Properties

Compound Name2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-6-methylpyridine-4-carbothioamide
PubChem CID114767412
Molecular FormulaC14H18N4S2
Molecular Weight306.46 g/mol
Exact Mass306.10
IUPAC Name2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-6-methylpyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(NC(C)c2sc(C)nc2C)n1
InChIInChI=1S/C14H18N4S2/c1-7-5-11(14(15)19)6-12(16-7)18-9(3)13-8(2)17-10(4)20-13/h5-6,9H,1-4H3,(H2,15,19)(H,16,18)
InChIKeyQPVXVSGEUBBKRP-UHFFFAOYSA-N
XLogP3.27
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-6-methylpyridine-4-carbothioamide?
The IUPAC name of 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-6-methylpyridine-4-carbothioamide (CID 114767412) is 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-6-methylpyridine-4-carbothioamide.
What is the SMILES notation for 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-6-methylpyridine-4-carbothioamide?
The canonical SMILES for 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-6-methylpyridine-4-carbothioamide is Cc1cc(C(N)=S)cc(NC(C)c2sc(C)nc2C)n1.
What is the InChIKey of 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-6-methylpyridine-4-carbothioamide?
The InChIKey is QPVXVSGEUBBKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S2/c1-7-5-11(14(15)19)6-12(16-7)18-9(3)13-8(2)17-10(4)20-13/h5-6,9H,1-4H3,(H2,15,19)(H,16,18).
What are the key properties of 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-6-methylpyridine-4-carbothioamide?
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-6-methylpyridine-4-carbothioamide has a molecular weight of 306.46 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-6-methylpyridine-4-carbothioamide is sourced from PubChem (CID 114767412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).