5-chloro-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,1,3-trimethylpyrazole-4-carboxamide

C19H20ClFN6O2S — CID 87095220

IUPAC5-chloro-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,1,3-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(Cl)c1C(=O)N(C)Cc1csc(NC(=O)NCc2cccc(F)c2)n1
InChIInChI=1S/C19H20ClFN6O2S/c1-11-15(16(20)27(3)25-11)17(28)26(2)9-14-10-30-19(23-14)24-18(29)22-8-12-5-4-6-13(21)7-12/h4-7,10H,8-9H2,1-3H3,(H2,22,23,24,29)
InChIKeyFOBGGYIZSVGQRG-UHFFFAOYSA-N
MW450.93 g/mol
LogP3.57
Rot. Bonds6

About 5-chloro-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,1,3-trimethylpyrazole-4-carboxamide

5-chloro-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,1,3-trimethylpyrazole-4-carboxamide (PubChem CID 87095220) has the molecular formula C19H20ClFN6O2S and a molecular weight of 450.93 g/mol. Its IUPAC name is 5-chloro-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,1,3-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,1,3-trimethylpyrazole-4-carboxamide
PubChem CID87095220
Molecular FormulaC19H20ClFN6O2S
Molecular Weight450.93 g/mol
Exact Mass450.10
IUPAC Name5-chloro-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,1,3-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(Cl)c1C(=O)N(C)Cc1csc(NC(=O)NCc2cccc(F)c2)n1
InChIInChI=1S/C19H20ClFN6O2S/c1-11-15(16(20)27(3)25-11)17(28)26(2)9-14-10-30-19(23-14)24-18(29)22-8-12-5-4-6-13(21)7-12/h4-7,10H,8-9H2,1-3H3,(H2,22,23,24,29)
InChIKeyFOBGGYIZSVGQRG-UHFFFAOYSA-N
XLogP3.57
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,1,3-trimethylpyrazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,1,3-trimethylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,1,3-trimethylpyrazole-4-carboxamide (CID 87095220) is 5-chloro-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,1,3-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,1,3-trimethylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,1,3-trimethylpyrazole-4-carboxamide is Cc1nn(C)c(Cl)c1C(=O)N(C)Cc1csc(NC(=O)NCc2cccc(F)c2)n1.
What is the InChIKey of 5-chloro-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,1,3-trimethylpyrazole-4-carboxamide?
The InChIKey is FOBGGYIZSVGQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN6O2S/c1-11-15(16(20)27(3)25-11)17(28)26(2)9-14-10-30-19(23-14)24-18(29)22-8-12-5-4-6-13(21)7-12/h4-7,10H,8-9H2,1-3H3,(H2,22,23,24,29).
What are the key properties of 5-chloro-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,1,3-trimethylpyrazole-4-carboxamide?
5-chloro-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,1,3-trimethylpyrazole-4-carboxamide has a molecular weight of 450.93 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,1,3-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 87095220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).