1-[(1R)-1-phenylethyl]-3-[4-[[(1R)-1-phenylethyl]carbamothioylamino]phenyl]thiourea

C24H26N4S2 — CID 27527330

IUPAC1-[(1R)-1-phenylethyl]-3-[4-[[(1R)-1-phenylethyl]carbamothioylamino]phenyl]thiourea
SMILESC[C@@H](NC(=S)Nc1ccc(NC(=S)N[C@H](C)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C24H26N4S2/c1-17(19-9-5-3-6-10-19)25-23(29)27-21-13-15-22(16-14-21)28-24(30)26-18(2)20-11-7-4-8-12-20/h3-18H,1-2H3,(H2,25,27,29)(H2,26,28,30)/t17-,18-/m1/s1
InChIKeyBUBZWHXYSJMMIQ-QZTJIDSGSA-N
MW434.63 g/mol
LogP5.78
Rot. Bonds6

About 1-[(1R)-1-phenylethyl]-3-[4-[[(1R)-1-phenylethyl]carbamothioylamino]phenyl]thiourea

1-[(1R)-1-phenylethyl]-3-[4-[[(1R)-1-phenylethyl]carbamothioylamino]phenyl]thiourea (PubChem CID 27527330) has the molecular formula C24H26N4S2 and a molecular weight of 434.63 g/mol. Its IUPAC name is 1-[(1R)-1-phenylethyl]-3-[4-[[(1R)-1-phenylethyl]carbamothioylamino]phenyl]thiourea.

Molecular Properties

Compound Name1-[(1R)-1-phenylethyl]-3-[4-[[(1R)-1-phenylethyl]carbamothioylamino]phenyl]thiourea
PubChem CID27527330
Molecular FormulaC24H26N4S2
Molecular Weight434.63 g/mol
Exact Mass434.16
IUPAC Name1-[(1R)-1-phenylethyl]-3-[4-[[(1R)-1-phenylethyl]carbamothioylamino]phenyl]thiourea
SMILESC[C@@H](NC(=S)Nc1ccc(NC(=S)N[C@H](C)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C24H26N4S2/c1-17(19-9-5-3-6-10-19)25-23(29)27-21-13-15-22(16-14-21)28-24(30)26-18(2)20-11-7-4-8-12-20/h3-18H,1-2H3,(H2,25,27,29)(H2,26,28,30)/t17-,18-/m1/s1
InChIKeyBUBZWHXYSJMMIQ-QZTJIDSGSA-N
XLogP5.78
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.63
LogP ≤ 55.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(1R)-1-phenylethyl]-3-[4-[[(1R)-1-phenylethyl]carbamothioylamino]phenyl]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-phenylethyl)-3-(4-propan-2-yloxyphenyl)thiourea
CID 133197037
1,3-bis[(1R)-1-phenylethyl]thiourea
CID 11818469
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylthiourea
CID 92512959
1-(1-phenylethyl)-3-propan-2-ylthiourea
CID 19649780
1-(1-phenylethyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 19675516
1-[1-(3,4-dimethylphenyl)ethyl]-3-phenylthiourea
CID 19674967
1-(3-methoxyphenyl)-3-[(1R)-1-phenylethyl]thiourea
CID 8619758
1-[1-(3-methoxyphenyl)ethyl]-3-phenylthiourea
CID 19675715
1-(2-methylsulfanylphenyl)-3-(1-phenylethyl)thiourea
CID 19648711
1-[(1S)-3-methyl-1-phenylbutyl]-3-phenylthiourea
CID 92679253
1-phenyl-3-[1-(4-pyrrolidin-1-ylphenyl)ethyl]thiourea
CID 133216188
N,N'-bis[(1S)-1-phenylethyl]ethanedithioamide
CID 101046425

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-phenylethyl]-3-[4-[[(1R)-1-phenylethyl]carbamothioylamino]phenyl]thiourea?
The IUPAC name of 1-[(1R)-1-phenylethyl]-3-[4-[[(1R)-1-phenylethyl]carbamothioylamino]phenyl]thiourea (CID 27527330) is 1-[(1R)-1-phenylethyl]-3-[4-[[(1R)-1-phenylethyl]carbamothioylamino]phenyl]thiourea.
What is the SMILES notation for 1-[(1R)-1-phenylethyl]-3-[4-[[(1R)-1-phenylethyl]carbamothioylamino]phenyl]thiourea?
The canonical SMILES for 1-[(1R)-1-phenylethyl]-3-[4-[[(1R)-1-phenylethyl]carbamothioylamino]phenyl]thiourea is C[C@@H](NC(=S)Nc1ccc(NC(=S)N[C@H](C)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 1-[(1R)-1-phenylethyl]-3-[4-[[(1R)-1-phenylethyl]carbamothioylamino]phenyl]thiourea?
The InChIKey is BUBZWHXYSJMMIQ-QZTJIDSGSA-N. The full InChI is InChI=1S/C24H26N4S2/c1-17(19-9-5-3-6-10-19)25-23(29)27-21-13-15-22(16-14-21)28-24(30)26-18(2)20-11-7-4-8-12-20/h3-18H,1-2H3,(H2,25,27,29)(H2,26,28,30)/t17-,18-/m1/s1.
What are the key properties of 1-[(1R)-1-phenylethyl]-3-[4-[[(1R)-1-phenylethyl]carbamothioylamino]phenyl]thiourea?
1-[(1R)-1-phenylethyl]-3-[4-[[(1R)-1-phenylethyl]carbamothioylamino]phenyl]thiourea has a molecular weight of 434.63 g/mol, XLogP of 5.78, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-phenylethyl]-3-[4-[[(1R)-1-phenylethyl]carbamothioylamino]phenyl]thiourea is sourced from PubChem (CID 27527330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).