2-methyl-6-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carbothioamide

C14H17N3S2 — CID 114767664

IUPAC2-methyl-6-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(NC(C)Cc2cccs2)n1
InChIInChI=1S/C14H17N3S2/c1-9-6-11(14(15)18)8-13(16-9)17-10(2)7-12-4-3-5-19-12/h3-6,8,10H,7H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyIPSCBABQBFNYTD-UHFFFAOYSA-N
MW291.45 g/mol
LogP3.13
Rot. Bonds5

About 2-methyl-6-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carbothioamide

2-methyl-6-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carbothioamide (PubChem CID 114767664) has the molecular formula C14H17N3S2 and a molecular weight of 291.45 g/mol. Its IUPAC name is 2-methyl-6-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-methyl-6-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carbothioamide
PubChem CID114767664
Molecular FormulaC14H17N3S2
Molecular Weight291.45 g/mol
Exact Mass291.09
IUPAC Name2-methyl-6-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(NC(C)Cc2cccs2)n1
InChIInChI=1S/C14H17N3S2/c1-9-6-11(14(15)18)8-13(16-9)17-10(2)7-12-4-3-5-19-12/h3-6,8,10H,7H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyIPSCBABQBFNYTD-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
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

3-bromo-4-(1-thiophen-2-ylpropan-2-ylamino)benzenecarbothioamide
CID 82804851
4-methyl-2-(1-thiophen-2-ylpropan-2-ylamino)benzenecarbothioamide
CID 63292576
2-methyl-6-[methyl(thiophen-2-ylmethyl)amino]pyridine-4-carbothioamide
CID 114767240
2-methyl-6-[1-(2-methylphenyl)ethylamino]pyridine-4-carbothioamide
CID 114767407
2-methyl-6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-4-carbothioamide
CID 114767732
2-methyl-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine
CID 63540902
2-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80950302
2-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 114767933
2-methyl-6-[1-(1,3-thiazol-2-yl)propylamino]pyridine-4-carbothioamide
CID 114767731
2,6-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)pyridine-3-carboxylic acid
CID 81053770
6-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 61397753
5-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine
CID 115922260

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carbothioamide?
The IUPAC name of 2-methyl-6-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carbothioamide (CID 114767664) is 2-methyl-6-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carbothioamide.
What is the SMILES notation for 2-methyl-6-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carbothioamide?
The canonical SMILES for 2-methyl-6-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carbothioamide is Cc1cc(C(N)=S)cc(NC(C)Cc2cccs2)n1.
What is the InChIKey of 2-methyl-6-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carbothioamide?
The InChIKey is IPSCBABQBFNYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S2/c1-9-6-11(14(15)18)8-13(16-9)17-10(2)7-12-4-3-5-19-12/h3-6,8,10H,7H2,1-2H3,(H2,15,18)(H,16,17).
What are the key properties of 2-methyl-6-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carbothioamide?
2-methyl-6-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carbothioamide has a molecular weight of 291.45 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carbothioamide is sourced from PubChem (CID 114767664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).