2-[(5-methyl-1,3-thiazol-2-yl)amino]quinoline-4-carbothioamide

C14H12N4S2 — CID 63885150

IUPAC2-[(5-methyl-1,3-thiazol-2-yl)amino]quinoline-4-carbothioamide
SMILESCc1cnc(Nc2cc(C(N)=S)c3ccccc3n2)s1
InChIInChI=1S/C14H12N4S2/c1-8-7-16-14(20-8)18-12-6-10(13(15)19)9-4-2-3-5-11(9)17-12/h2-7H,1H3,(H2,15,19)(H,16,17,18)
InChIKeyNEEIUKNAHDEXQF-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.38
Rot. Bonds3

About 2-[(5-methyl-1,3-thiazol-2-yl)amino]quinoline-4-carbothioamide

2-[(5-methyl-1,3-thiazol-2-yl)amino]quinoline-4-carbothioamide (PubChem CID 63885150) has the molecular formula C14H12N4S2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-[(5-methyl-1,3-thiazol-2-yl)amino]quinoline-4-carbothioamide.

Molecular Properties

Compound Name2-[(5-methyl-1,3-thiazol-2-yl)amino]quinoline-4-carbothioamide
PubChem CID63885150
Molecular FormulaC14H12N4S2
Molecular Weight300.41 g/mol
Exact Mass300.05
IUPAC Name2-[(5-methyl-1,3-thiazol-2-yl)amino]quinoline-4-carbothioamide
SMILESCc1cnc(Nc2cc(C(N)=S)c3ccccc3n2)s1
InChIInChI=1S/C14H12N4S2/c1-8-7-16-14(20-8)18-12-6-10(13(15)19)9-4-2-3-5-11(9)17-12/h2-7H,1H3,(H2,15,19)(H,16,17,18)
InChIKeyNEEIUKNAHDEXQF-UHFFFAOYSA-N
XLogP3.38
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Stf-62247
CID 704473
Timegadine
CID 68902
Indole, 3-(N-2-thiazolylformimidoyl)-
CID 135403056
(4-Phenyl-thiazol-2-yl)-pyridin-2-yl-amine
CID 750531
N-(2-ethylphenyl)-4-(pyridin-3-yl)-1,3-thiazol-2-amine
CID 746667
(3-Methyl-pyridin-2-yl)-(4-pyridin-2-yl-thiazol-2-yl)-amine
CID 972880
N-(1,3-Thiazol-2-yl)pyridin-2-amine 1
CID 5329323
5-phenyl-N-[5-(pyrrolidin-1-ylmethyl)pyridin-2-yl]-1,3-thiazol-2-amine
CID 5329324
5-phenyl-N-[4-(pyrrolidin-1-ylmethyl)pyridin-2-yl]-1,3-thiazol-2-amine
CID 5329325
Aminothiazole 7
CID 5329389
Aminothiazole 8
CID 5329390
N-(3-methylpyridin-2-yl)-5-phenyl-1,3-thiazol-2-amine
CID 5329391

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3-thiazol-2-yl)amino]quinoline-4-carbothioamide?
The IUPAC name of 2-[(5-methyl-1,3-thiazol-2-yl)amino]quinoline-4-carbothioamide (CID 63885150) is 2-[(5-methyl-1,3-thiazol-2-yl)amino]quinoline-4-carbothioamide.
What is the SMILES notation for 2-[(5-methyl-1,3-thiazol-2-yl)amino]quinoline-4-carbothioamide?
The canonical SMILES for 2-[(5-methyl-1,3-thiazol-2-yl)amino]quinoline-4-carbothioamide is Cc1cnc(Nc2cc(C(N)=S)c3ccccc3n2)s1.
What is the InChIKey of 2-[(5-methyl-1,3-thiazol-2-yl)amino]quinoline-4-carbothioamide?
The InChIKey is NEEIUKNAHDEXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4S2/c1-8-7-16-14(20-8)18-12-6-10(13(15)19)9-4-2-3-5-11(9)17-12/h2-7H,1H3,(H2,15,19)(H,16,17,18).
What are the key properties of 2-[(5-methyl-1,3-thiazol-2-yl)amino]quinoline-4-carbothioamide?
2-[(5-methyl-1,3-thiazol-2-yl)amino]quinoline-4-carbothioamide has a molecular weight of 300.41 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3-thiazol-2-yl)amino]quinoline-4-carbothioamide is sourced from PubChem (CID 63885150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).