2-(4-carbamothioylanilino)-N-methylpropanamide

C11H15N3OS — CID 61467405

IUPAC2-(4-carbamothioylanilino)-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1ccc(C(N)=S)cc1
InChIInChI=1S/C11H15N3OS/c1-7(11(15)13-2)14-9-5-3-8(4-6-9)10(12)16/h3-7,14H,1-2H3,(H2,12,16)(H,13,15)
InChIKeyBZLAJJZKUJVNIC-UHFFFAOYSA-N
MW237.33 g/mol
LogP0.87
Rot. Bonds4

About 2-(4-carbamothioylanilino)-N-methylpropanamide

2-(4-carbamothioylanilino)-N-methylpropanamide (PubChem CID 61467405) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-(4-carbamothioylanilino)-N-methylpropanamide.

Molecular Properties

Compound Name2-(4-carbamothioylanilino)-N-methylpropanamide
PubChem CID61467405
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name2-(4-carbamothioylanilino)-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1ccc(C(N)=S)cc1
InChIInChI=1S/C11H15N3OS/c1-7(11(15)13-2)14-9-5-3-8(4-6-9)10(12)16/h3-7,14H,1-2H3,(H2,12,16)(H,13,15)
InChIKeyBZLAJJZKUJVNIC-UHFFFAOYSA-N
XLogP0.87
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 50.87
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-(4-acetylanilino)-N-methylpropanamide
CID 115573414
N-(4-carbamothioylphenyl)-2-methylpropanamide
CID 24694083
4-(3-methylbutan-2-ylamino)benzenecarbothioamide
CID 43131463
2-(4-iodoanilino)-N-methylpropanamide
CID 43086006
2-[(4-carbamothioyl-2-pyridinyl)amino]-N-methylpropanamide
CID 61467404
2-(4-tert-butylanilino)-N-methylpropanamide
CID 43085951
4-[[(2R)-2-(4-fluoroanilino)propanoyl]amino]benzamide
CID 32736130
2-[(4-carbamothioylpyridazin-3-yl)amino]-N-methylpropanamide
CID 80512272
4-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]benzamide
CID 43112977
N-(4-carbamothioylphenyl)-2-methylpentanamide
CID 43210162
2-(4-ethoxyanilino)-N-methylpropanamide
CID 43085866
N-(4-carbamothioylphenyl)-2-ethylbutanamide
CID 24708427

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamothioylanilino)-N-methylpropanamide?
The IUPAC name of 2-(4-carbamothioylanilino)-N-methylpropanamide (CID 61467405) is 2-(4-carbamothioylanilino)-N-methylpropanamide.
What is the SMILES notation for 2-(4-carbamothioylanilino)-N-methylpropanamide?
The canonical SMILES for 2-(4-carbamothioylanilino)-N-methylpropanamide is CNC(=O)C(C)Nc1ccc(C(N)=S)cc1.
What is the InChIKey of 2-(4-carbamothioylanilino)-N-methylpropanamide?
The InChIKey is BZLAJJZKUJVNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-7(11(15)13-2)14-9-5-3-8(4-6-9)10(12)16/h3-7,14H,1-2H3,(H2,12,16)(H,13,15).
What are the key properties of 2-(4-carbamothioylanilino)-N-methylpropanamide?
2-(4-carbamothioylanilino)-N-methylpropanamide has a molecular weight of 237.33 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamothioylanilino)-N-methylpropanamide is sourced from PubChem (CID 61467405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).