1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea

C19H18FN3S2 — CID 100560858

IUPAC1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea
SMILESCc1nc(-c2cccc(NC(=S)N[C@H](C)c3ccc(F)cc3)c2)cs1
InChIInChI=1S/C19H18FN3S2/c1-12(14-6-8-16(20)9-7-14)21-19(24)23-17-5-3-4-15(10-17)18-11-25-13(2)22-18/h3-12H,1-2H3,(H2,21,23,24)/t12-/m1/s1
InChIKeyYCJDBOBDZVPROF-GFCCVEGCSA-N
MW371.51 g/mol
LogP5.31
Rot. Bonds4

About 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea

1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea (PubChem CID 100560858) has the molecular formula C19H18FN3S2 and a molecular weight of 371.51 g/mol. Its IUPAC name is 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea.

Molecular Properties

Compound Name1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea
PubChem CID100560858
Molecular FormulaC19H18FN3S2
Molecular Weight371.51 g/mol
Exact Mass371.09
IUPAC Name1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea
SMILESCc1nc(-c2cccc(NC(=S)N[C@H](C)c3ccc(F)cc3)c2)cs1
InChIInChI=1S/C19H18FN3S2/c1-12(14-6-8-16(20)9-7-14)21-19(24)23-17-5-3-4-15(10-17)18-11-25-13(2)22-18/h3-12H,1-2H3,(H2,21,23,24)/t12-/m1/s1
InChIKeyYCJDBOBDZVPROF-GFCCVEGCSA-N
XLogP5.31
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.51
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-1,3-thiazol-4-yl)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-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea
CID 100560847
1-[(2R)-butan-2-yl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea
CID 100560500
1-cyclopentyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea
CID 100560521
2-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 43699209
ethyl 3-[1-(4-fluorophenyl)ethylcarbamothioylamino]benzoate
CID 133215346
methyl 3-[[(1R)-1-(4-fluorophenyl)ethyl]carbamothioylamino]benzoate
CID 100646498
1-[1-(4-fluorophenyl)ethyl]-3-(4-methylphenyl)thiourea
CID 78752939
3-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 54924319
2-(azetidin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 116675510
1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]urea
CID 97277183
N-(1-cyclopropylethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 43714323
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea?
The IUPAC name of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea (CID 100560858) is 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea.
What is the SMILES notation for 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea?
The canonical SMILES for 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea is Cc1nc(-c2cccc(NC(=S)N[C@H](C)c3ccc(F)cc3)c2)cs1.
What is the InChIKey of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea?
The InChIKey is YCJDBOBDZVPROF-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H18FN3S2/c1-12(14-6-8-16(20)9-7-14)21-19(24)23-17-5-3-4-15(10-17)18-11-25-13(2)22-18/h3-12H,1-2H3,(H2,21,23,24)/t12-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea?
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea has a molecular weight of 371.51 g/mol, XLogP of 5.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea is sourced from PubChem (CID 100560858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).