1-naphthalen-1-yl-3-[(1S)-1-phenylethyl]thiourea

C19H18N2S — CID 40546386

IUPAC1-naphthalen-1-yl-3-[(1S)-1-phenylethyl]thiourea
SMILESC[C@H](NC(=S)Nc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C19H18N2S/c1-14(15-8-3-2-4-9-15)20-19(22)21-18-13-7-11-16-10-5-6-12-17(16)18/h2-14H,1H3,(H2,20,21,22)/t14-/m0/s1
InChIKeyHXYHJUIAOLZHLB-AWEZNQCLSA-N
MW306.43 g/mol
LogP4.89
Rot. Bonds3

About 1-naphthalen-1-yl-3-[(1S)-1-phenylethyl]thiourea

1-naphthalen-1-yl-3-[(1S)-1-phenylethyl]thiourea (PubChem CID 40546386) has the molecular formula C19H18N2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-naphthalen-1-yl-3-[(1S)-1-phenylethyl]thiourea.

Molecular Properties

Compound Name1-naphthalen-1-yl-3-[(1S)-1-phenylethyl]thiourea
PubChem CID40546386
Molecular FormulaC19H18N2S
Molecular Weight306.43 g/mol
Exact Mass306.12
IUPAC Name1-naphthalen-1-yl-3-[(1S)-1-phenylethyl]thiourea
SMILESC[C@H](NC(=S)Nc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C19H18N2S/c1-14(15-8-3-2-4-9-15)20-19(22)21-18-13-7-11-16-10-5-6-12-17(16)18/h2-14H,1H3,(H2,20,21,22)/t14-/m0/s1
InChIKeyHXYHJUIAOLZHLB-AWEZNQCLSA-N
XLogP4.89
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylsulfanylphenyl)-3-(1-phenylethyl)thiourea
CID 19648711
1-(2-methylphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
CID 8657843
1-(3-chloro-2-methylphenyl)-3-[(1R)-1-phenylethyl]thiourea
CID 8656271
1,3-bis[(1R)-1-phenylethyl]thiourea
CID 11818469
1-[(1R)-1-phenylethyl]-3-[4-[[(1R)-1-phenylethyl]carbamothioylamino]phenyl]thiourea
CID 27527330
1-(2,3-dimethylphenyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
CID 8657853
1-naphthalen-1-yl-3-phenylthiourea
CID 828128
2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]-N-(1-phenylethyl)benzamide
CID 6234194
2,2-diphenyl-N-[2,2,2-trichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]acetamide
CID 2830339
1-naphthalen-1-yl-3-(propan-2-ylideneamino)thiourea
CID 15758488
1-methyl-1-[(1R,2R)-2-[methyl(naphthalen-1-ylcarbamothioyl)amino]-1,2-diphenylethyl]-3-naphthalen-1-ylthiourea
CID 102094189
2-methyl-N-[2,2,2-trichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]propanamide
CID 3092625

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-3-[(1S)-1-phenylethyl]thiourea?
The IUPAC name of 1-naphthalen-1-yl-3-[(1S)-1-phenylethyl]thiourea (CID 40546386) is 1-naphthalen-1-yl-3-[(1S)-1-phenylethyl]thiourea.
What is the SMILES notation for 1-naphthalen-1-yl-3-[(1S)-1-phenylethyl]thiourea?
The canonical SMILES for 1-naphthalen-1-yl-3-[(1S)-1-phenylethyl]thiourea is C[C@H](NC(=S)Nc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of 1-naphthalen-1-yl-3-[(1S)-1-phenylethyl]thiourea?
The InChIKey is HXYHJUIAOLZHLB-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H18N2S/c1-14(15-8-3-2-4-9-15)20-19(22)21-18-13-7-11-16-10-5-6-12-17(16)18/h2-14H,1H3,(H2,20,21,22)/t14-/m0/s1.
What are the key properties of 1-naphthalen-1-yl-3-[(1S)-1-phenylethyl]thiourea?
1-naphthalen-1-yl-3-[(1S)-1-phenylethyl]thiourea has a molecular weight of 306.43 g/mol, XLogP of 4.89, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-3-[(1S)-1-phenylethyl]thiourea is sourced from PubChem (CID 40546386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).