4-methoxy-2-[1-(5-methylthiophen-2-yl)propan-2-ylamino]benzenecarbothioamide

C16H20N2OS2 — CID 81297363

IUPAC4-methoxy-2-[1-(5-methylthiophen-2-yl)propan-2-ylamino]benzenecarbothioamide
SMILESCOc1ccc(C(N)=S)c(NC(C)Cc2ccc(C)s2)c1
InChIInChI=1S/C16H20N2OS2/c1-10(8-13-6-4-11(2)21-13)18-15-9-12(19-3)5-7-14(15)16(17)20/h4-7,9-10,18H,8H2,1-3H3,(H2,17,20)
InChIKeyRQHYFEWDJCQUHT-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.74
Rot. Bonds6

About 4-methoxy-2-[1-(5-methylthiophen-2-yl)propan-2-ylamino]benzenecarbothioamide

4-methoxy-2-[1-(5-methylthiophen-2-yl)propan-2-ylamino]benzenecarbothioamide (PubChem CID 81297363) has the molecular formula C16H20N2OS2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 4-methoxy-2-[1-(5-methylthiophen-2-yl)propan-2-ylamino]benzenecarbothioamide.

Molecular Properties

Compound Name4-methoxy-2-[1-(5-methylthiophen-2-yl)propan-2-ylamino]benzenecarbothioamide
PubChem CID81297363
Molecular FormulaC16H20N2OS2
Molecular Weight320.48 g/mol
Exact Mass320.10
IUPAC Name4-methoxy-2-[1-(5-methylthiophen-2-yl)propan-2-ylamino]benzenecarbothioamide
SMILESCOc1ccc(C(N)=S)c(NC(C)Cc2ccc(C)s2)c1
InChIInChI=1S/C16H20N2OS2/c1-10(8-13-6-4-11(2)21-13)18-15-9-12(19-3)5-7-14(15)16(17)20/h4-7,9-10,18H,8H2,1-3H3,(H2,17,20)
InChIKeyRQHYFEWDJCQUHT-UHFFFAOYSA-N
XLogP3.74
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.74
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-methoxy-2-(pentan-2-ylamino)benzenecarbothioamide
CID 81306230
2-(1-cyclopropylpropan-2-ylamino)-4-methoxybenzenecarbothioamide
CID 81306093
5-methoxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-nitroaniline
CID 79033713
2,6-dimethyl-4-[1-(5-methylthiophen-2-yl)propan-2-ylamino]pyridine-3-carbothioamide
CID 81036465
2-amino-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]benzamide
CID 115546311
4-methoxy-2-(1-methoxypentan-2-ylamino)benzenecarbothioamide
CID 81306180
4-methoxy-2-[(5-methyl-1,3-thiazol-2-yl)amino]benzenecarbothioamide
CID 81306393
4-methoxy-2-(2-propan-2-yloxyethylamino)benzenecarbothioamide
CID 104761774
N-[2-(4-methoxyphenyl)ethyl]-1-(5-methylthiophen-2-yl)propan-2-amine
CID 65444462
2-(2,2-dimethylhydrazinyl)-4-methoxybenzenecarbothioamide
CID 83016164
4-methoxy-2-(4-methylanilino)benzenecarbothioamide
CID 81306668
2,3-difluoro-4-[1-(5-methylthiophen-2-yl)propan-2-ylamino]benzoic acid
CID 79835082

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[1-(5-methylthiophen-2-yl)propan-2-ylamino]benzenecarbothioamide?
The IUPAC name of 4-methoxy-2-[1-(5-methylthiophen-2-yl)propan-2-ylamino]benzenecarbothioamide (CID 81297363) is 4-methoxy-2-[1-(5-methylthiophen-2-yl)propan-2-ylamino]benzenecarbothioamide.
What is the SMILES notation for 4-methoxy-2-[1-(5-methylthiophen-2-yl)propan-2-ylamino]benzenecarbothioamide?
The canonical SMILES for 4-methoxy-2-[1-(5-methylthiophen-2-yl)propan-2-ylamino]benzenecarbothioamide is COc1ccc(C(N)=S)c(NC(C)Cc2ccc(C)s2)c1.
What is the InChIKey of 4-methoxy-2-[1-(5-methylthiophen-2-yl)propan-2-ylamino]benzenecarbothioamide?
The InChIKey is RQHYFEWDJCQUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS2/c1-10(8-13-6-4-11(2)21-13)18-15-9-12(19-3)5-7-14(15)16(17)20/h4-7,9-10,18H,8H2,1-3H3,(H2,17,20).
What are the key properties of 4-methoxy-2-[1-(5-methylthiophen-2-yl)propan-2-ylamino]benzenecarbothioamide?
4-methoxy-2-[1-(5-methylthiophen-2-yl)propan-2-ylamino]benzenecarbothioamide has a molecular weight of 320.48 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[1-(5-methylthiophen-2-yl)propan-2-ylamino]benzenecarbothioamide is sourced from PubChem (CID 81297363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).