5-fluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]benzenecarbothioamide

C11H10FN3S2 — CID 55233893

IUPAC5-fluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]benzenecarbothioamide
SMILESCc1cnc(Nc2ccc(F)cc2C(N)=S)s1
InChIInChI=1S/C11H10FN3S2/c1-6-5-14-11(17-6)15-9-3-2-7(12)4-8(9)10(13)16/h2-5H,1H3,(H2,13,16)(H,14,15)
InChIKeyLBVHZCGBVUVPCB-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.97
Rot. Bonds3

About 5-fluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]benzenecarbothioamide

5-fluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]benzenecarbothioamide (PubChem CID 55233893) has the molecular formula C11H10FN3S2 and a molecular weight of 267.35 g/mol. Its IUPAC name is 5-fluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]benzenecarbothioamide.

Molecular Properties

Compound Name5-fluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]benzenecarbothioamide
PubChem CID55233893
Molecular FormulaC11H10FN3S2
Molecular Weight267.35 g/mol
Exact Mass267.03
IUPAC Name5-fluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]benzenecarbothioamide
SMILESCc1cnc(Nc2ccc(F)cc2C(N)=S)s1
InChIInChI=1S/C11H10FN3S2/c1-6-5-14-11(17-6)15-9-3-2-7(12)4-8(9)10(13)16/h2-5H,1H3,(H2,13,16)(H,14,15)
InChIKeyLBVHZCGBVUVPCB-UHFFFAOYSA-N
XLogP2.97
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]benzenecarbothioamide?
The IUPAC name of 5-fluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]benzenecarbothioamide (CID 55233893) is 5-fluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]benzenecarbothioamide.
What is the SMILES notation for 5-fluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]benzenecarbothioamide?
The canonical SMILES for 5-fluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]benzenecarbothioamide is Cc1cnc(Nc2ccc(F)cc2C(N)=S)s1.
What is the InChIKey of 5-fluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]benzenecarbothioamide?
The InChIKey is LBVHZCGBVUVPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3S2/c1-6-5-14-11(17-6)15-9-3-2-7(12)4-8(9)10(13)16/h2-5H,1H3,(H2,13,16)(H,14,15).
What are the key properties of 5-fluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]benzenecarbothioamide?
5-fluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]benzenecarbothioamide has a molecular weight of 267.35 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]benzenecarbothioamide is sourced from PubChem (CID 55233893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).