4-fluoro-N-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide

C18H14FN3OS2 — CID 164687705

IUPAC4-fluoro-N-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide
SMILESCc1sc(NC(=S)NC(=O)c2ccc(F)cc2)nc1-c1ccccc1
InChIInChI=1S/C18H14FN3OS2/c1-11-15(12-5-3-2-4-6-12)20-18(25-11)22-17(24)21-16(23)13-7-9-14(19)10-8-13/h2-10H,1H3,(H2,20,21,22,23,24)
InChIKeyBVDOJIVOESPANS-UHFFFAOYSA-N
MW371.46 g/mol
LogP4.38
Rot. Bonds3

About 4-fluoro-N-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide

4-fluoro-N-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide (PubChem CID 164687705) has the molecular formula C18H14FN3OS2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 4-fluoro-N-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide
PubChem CID164687705
Molecular FormulaC18H14FN3OS2
Molecular Weight371.46 g/mol
Exact Mass371.06
IUPAC Name4-fluoro-N-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide
SMILESCc1sc(NC(=S)NC(=O)c2ccc(F)cc2)nc1-c1ccccc1
InChIInChI=1S/C18H14FN3OS2/c1-11-15(12-5-3-2-4-6-12)20-18(25-11)22-17(24)21-16(23)13-7-9-14(19)10-8-13/h2-10H,1H3,(H2,20,21,22,23,24)
InChIKeyBVDOJIVOESPANS-UHFFFAOYSA-N
XLogP4.38
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 54.38
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

4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 2304857
4-fluoro-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 880470
4-fluoro-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide
CID 1275742
2-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 7769422
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide
CID 1406576
methyl N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamate
CID 1220478
N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 126057357
3,4-dimethyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 868794
N-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-fluorobenzamide
CID 17100377
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 39795631
ethyl 2-[(4-fluorobenzoyl)carbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2282070
N-[(6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-phenylbenzamide
CID 2905350

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide?
The IUPAC name of 4-fluoro-N-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide (CID 164687705) is 4-fluoro-N-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide is Cc1sc(NC(=S)NC(=O)c2ccc(F)cc2)nc1-c1ccccc1.
What is the InChIKey of 4-fluoro-N-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide?
The InChIKey is BVDOJIVOESPANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3OS2/c1-11-15(12-5-3-2-4-6-12)20-18(25-11)22-17(24)21-16(23)13-7-9-14(19)10-8-13/h2-10H,1H3,(H2,20,21,22,23,24).
What are the key properties of 4-fluoro-N-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide?
4-fluoro-N-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide has a molecular weight of 371.46 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide is sourced from PubChem (CID 164687705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).