1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiourea

C17H14FN3S2 — CID 134105058

IUPAC1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiourea
SMILESCc1ccc(NC(=S)Nc2nc(-c3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C17H14FN3S2/c1-11-2-8-14(9-3-11)19-16(22)21-17-20-15(10-23-17)12-4-6-13(18)7-5-12/h2-10H,1H3,(H2,19,20,21,22)
InChIKeyLQPVFUFRYFLYJN-UHFFFAOYSA-N
MW343.45 g/mol
LogP5.07
Rot. Bonds3

About 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiourea

1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiourea (PubChem CID 134105058) has the molecular formula C17H14FN3S2 and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiourea.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiourea
PubChem CID134105058
Molecular FormulaC17H14FN3S2
Molecular Weight343.45 g/mol
Exact Mass343.06
IUPAC Name1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiourea
SMILESCc1ccc(NC(=S)Nc2nc(-c3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C17H14FN3S2/c1-11-2-8-14(9-3-11)19-16(22)21-17-20-15(10-23-17)12-4-6-13(18)7-5-12/h2-10H,1H3,(H2,19,20,21,22)
InChIKeyLQPVFUFRYFLYJN-UHFFFAOYSA-N
XLogP5.07
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.45
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2840281
4-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 2090772
N,4-bis(4-fluorophenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2840600
N-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide
CID 156772101
1-(3-chloro-4-fluorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)thiourea
CID 21008676
4-(4-fluorophenyl)-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 6004442
N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamothioyl]cyclopropanecarboxamide
CID 164687675
2,5-difluoro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46667765
(E)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)prop-2-enamide
CID 8502228
N-(4-fluorophenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 4544119
4-fluoro-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide
CID 1275742
N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 1132723

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiourea?
The IUPAC name of 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiourea (CID 134105058) is 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiourea.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiourea?
The canonical SMILES for 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiourea is Cc1ccc(NC(=S)Nc2nc(-c3ccc(F)cc3)cs2)cc1.
What is the InChIKey of 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiourea?
The InChIKey is LQPVFUFRYFLYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3S2/c1-11-2-8-14(9-3-11)19-16(22)21-17-20-15(10-23-17)12-4-6-13(18)7-5-12/h2-10H,1H3,(H2,19,20,21,22).
What are the key properties of 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiourea?
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiourea has a molecular weight of 343.45 g/mol, XLogP of 5.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiourea is sourced from PubChem (CID 134105058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).