4-(4-carbamothioyl-3-methylanilino)benzamide

C15H15N3OS — CID 81279521

IUPAC4-(4-carbamothioyl-3-methylanilino)benzamide
SMILESCc1cc(Nc2ccc(C(N)=O)cc2)ccc1C(N)=S
InChIInChI=1S/C15H15N3OS/c1-9-8-12(6-7-13(9)15(17)20)18-11-4-2-10(3-5-11)14(16)19/h2-8,18H,1H3,(H2,16,19)(H2,17,20)
InChIKeyUPIDVJHNPPKMSI-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.47
Rot. Bonds4

About 4-(4-carbamothioyl-3-methylanilino)benzamide

4-(4-carbamothioyl-3-methylanilino)benzamide (PubChem CID 81279521) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-(4-carbamothioyl-3-methylanilino)benzamide.

Molecular Properties

Compound Name4-(4-carbamothioyl-3-methylanilino)benzamide
PubChem CID81279521
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name4-(4-carbamothioyl-3-methylanilino)benzamide
SMILESCc1cc(Nc2ccc(C(N)=O)cc2)ccc1C(N)=S
InChIInChI=1S/C15H15N3OS/c1-9-8-12(6-7-13(9)15(17)20)18-11-4-2-10(3-5-11)14(16)19/h2-8,18H,1H3,(H2,16,19)(H2,17,20)
InChIKeyUPIDVJHNPPKMSI-UHFFFAOYSA-N
XLogP2.47
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-(3-methylanilino)benzenecarbothioamide
CID 81279626
2-methyl-4-(methylamino)benzenecarbothioamide
CID 81279250
5-(4-carbamoyl-3-methylanilino)-2-methylbenzoic acid
CID 81269584
4-(1,3-benzodioxol-5-ylamino)-2-methylbenzenecarbothioamide
CID 81278869
2-methyl-4-[(1-methylpyrazol-4-yl)amino]benzenecarbothioamide
CID 81276848
4-[(5-fluoro-3-pyridinyl)amino]-2-methylbenzenecarbothioamide
CID 114254846
2-chloro-4-(3,4-dimethylanilino)benzenecarbothioamide
CID 62948950
4-[(2-methyl-4-pyridinyl)amino]benzamide
CID 90134463
4-(2,6-difluoro-3-methylanilino)-2-methylbenzenecarbothioamide
CID 82818839
4-(2-fluoroanilino)-2-methylbenzenecarbothioamide
CID 81279277
2-amino-5-(4-bromo-3,5-dimethylanilino)benzamide
CID 107577603
2-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]amino]benzenecarbothioamide
CID 82795390

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbamothioyl-3-methylanilino)benzamide?
The IUPAC name of 4-(4-carbamothioyl-3-methylanilino)benzamide (CID 81279521) is 4-(4-carbamothioyl-3-methylanilino)benzamide.
What is the SMILES notation for 4-(4-carbamothioyl-3-methylanilino)benzamide?
The canonical SMILES for 4-(4-carbamothioyl-3-methylanilino)benzamide is Cc1cc(Nc2ccc(C(N)=O)cc2)ccc1C(N)=S.
What is the InChIKey of 4-(4-carbamothioyl-3-methylanilino)benzamide?
The InChIKey is UPIDVJHNPPKMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-9-8-12(6-7-13(9)15(17)20)18-11-4-2-10(3-5-11)14(16)19/h2-8,18H,1H3,(H2,16,19)(H2,17,20).
What are the key properties of 4-(4-carbamothioyl-3-methylanilino)benzamide?
4-(4-carbamothioyl-3-methylanilino)benzamide has a molecular weight of 285.37 g/mol, XLogP of 2.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbamothioyl-3-methylanilino)benzamide is sourced from PubChem (CID 81279521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).