2-(4-carbamothioylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)acetamide

C15H18N4OS — CID 63591412

IUPAC2-(4-carbamothioylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)acetamide
SMILESCC(Cn1ccnc1)NC(=O)Cc1ccc(C(N)=S)cc1
InChIInChI=1S/C15H18N4OS/c1-11(9-19-7-6-17-10-19)18-14(20)8-12-2-4-13(5-3-12)15(16)21/h2-7,10-11H,8-9H2,1H3,(H2,16,21)(H,18,20)
InChIKeySYFAZPZXHLEIDY-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.26
Rot. Bonds6

About 2-(4-carbamothioylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)acetamide

2-(4-carbamothioylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)acetamide (PubChem CID 63591412) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-(4-carbamothioylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-carbamothioylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)acetamide
PubChem CID63591412
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name2-(4-carbamothioylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)acetamide
SMILESCC(Cn1ccnc1)NC(=O)Cc1ccc(C(N)=S)cc1
InChIInChI=1S/C15H18N4OS/c1-11(9-19-7-6-17-10-19)18-14(20)8-12-2-4-13(5-3-12)15(16)21/h2-7,10-11H,8-9H2,1H3,(H2,16,21)(H,18,20)
InChIKeySYFAZPZXHLEIDY-UHFFFAOYSA-N
XLogP1.26
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.26
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

2-[4-(aminomethyl)phenyl]-N-(1-imidazol-1-ylpropan-2-yl)acetamide
CID 63588905
2-(4-acetamidophenyl)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]acetamide
CID 94024335
3-amino-N-(1-imidazol-1-ylpropan-2-yl)-3-sulfanylidenepropanamide
CID 61482794
4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzamide
CID 43792002
2-(4-carbamothioylphenyl)-N-(1-pyridin-4-ylethyl)acetamide
CID 63590706
N-(1-imidazol-1-ylpropan-2-yl)-3-pyridin-3-ylpropanamide
CID 55683150
3,5-difluoro-4-(1-imidazol-1-ylpropan-2-ylamino)benzenecarbothioamide
CID 81286265
2-anilino-N-(1-imidazol-1-ylpropan-2-yl)acetamide
CID 60861260
N-(2-amino-2-sulfanylideneethyl)-N'-(1-imidazol-1-ylpropan-2-yl)oxamide
CID 54959136
5-bromo-N-(1-imidazol-1-ylpropan-2-yl)pentanamide
CID 107908503
2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide
CID 43695457
2-(4-carbamothioylphenyl)-N-(1-methylsulfonylpropan-2-yl)acetamide
CID 64643986

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamothioylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)acetamide?
The IUPAC name of 2-(4-carbamothioylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)acetamide (CID 63591412) is 2-(4-carbamothioylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)acetamide.
What is the SMILES notation for 2-(4-carbamothioylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)acetamide?
The canonical SMILES for 2-(4-carbamothioylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)acetamide is CC(Cn1ccnc1)NC(=O)Cc1ccc(C(N)=S)cc1.
What is the InChIKey of 2-(4-carbamothioylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)acetamide?
The InChIKey is SYFAZPZXHLEIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-11(9-19-7-6-17-10-19)18-14(20)8-12-2-4-13(5-3-12)15(16)21/h2-7,10-11H,8-9H2,1H3,(H2,16,21)(H,18,20).
What are the key properties of 2-(4-carbamothioylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)acetamide?
2-(4-carbamothioylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)acetamide has a molecular weight of 302.40 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamothioylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)acetamide is sourced from PubChem (CID 63591412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).