2-amino-N-[5-[(4-cyclopropyloxy-2-fluorophenyl)carbamoyl]-4-fluoro-2-methylphenyl]-1,3-thiazole-5-carboxamide

C21H18F2N4O3S — CID 176733124

IUPAC2-amino-N-[5-[(4-cyclopropyloxy-2-fluorophenyl)carbamoyl]-4-fluoro-2-methylphenyl]-1,3-thiazole-5-carboxamide
SMILESCc1cc(F)c(C(=O)Nc2ccc(OC3CC3)cc2F)cc1NC(=O)c1cnc(N)s1
InChIInChI=1S/C21H18F2N4O3S/c1-10-6-14(22)13(8-17(10)27-20(29)18-9-25-21(24)31-18)19(28)26-16-5-4-12(7-15(16)23)30-11-2-3-11/h4-9,11H,2-3H2,1H3,(H2,24,25)(H,26,28)(H,27,29)
InChIKeyGGADYYSFUURRRM-UHFFFAOYSA-N
MW444.46 g/mol
LogP4.36
Rot. Bonds6

About 2-amino-N-[5-[(4-cyclopropyloxy-2-fluorophenyl)carbamoyl]-4-fluoro-2-methylphenyl]-1,3-thiazole-5-carboxamide

2-amino-N-[5-[(4-cyclopropyloxy-2-fluorophenyl)carbamoyl]-4-fluoro-2-methylphenyl]-1,3-thiazole-5-carboxamide (PubChem CID 176733124) has the molecular formula C21H18F2N4O3S and a molecular weight of 444.46 g/mol. Its IUPAC name is 2-amino-N-[5-[(4-cyclopropyloxy-2-fluorophenyl)carbamoyl]-4-fluoro-2-methylphenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[5-[(4-cyclopropyloxy-2-fluorophenyl)carbamoyl]-4-fluoro-2-methylphenyl]-1,3-thiazole-5-carboxamide
PubChem CID176733124
Molecular FormulaC21H18F2N4O3S
Molecular Weight444.46 g/mol
Exact Mass444.11
IUPAC Name2-amino-N-[5-[(4-cyclopropyloxy-2-fluorophenyl)carbamoyl]-4-fluoro-2-methylphenyl]-1,3-thiazole-5-carboxamide
SMILESCc1cc(F)c(C(=O)Nc2ccc(OC3CC3)cc2F)cc1NC(=O)c1cnc(N)s1
InChIInChI=1S/C21H18F2N4O3S/c1-10-6-14(22)13(8-17(10)27-20(29)18-9-25-21(24)31-18)19(28)26-16-5-4-12(7-15(16)23)30-11-2-3-11/h4-9,11H,2-3H2,1H3,(H2,24,25)(H,26,28)(H,27,29)
InChIKeyGGADYYSFUURRRM-UHFFFAOYSA-N
XLogP4.36
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-[5-[(4-cyclopropyloxy-2-fluorophenyl)carbamoyl]-4-fluoro-2-methylphenyl]-1,3-thiazole-5-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 2-amino-N-[5-[(4-cyclopropyloxy-2-fluorophenyl)carbamoyl]-4-fluoro-2-methylphenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-[5-[(4-cyclopropyloxy-2-fluorophenyl)carbamoyl]-4-fluoro-2-methylphenyl]-1,3-thiazole-5-carboxamide (CID 176733124) is 2-amino-N-[5-[(4-cyclopropyloxy-2-fluorophenyl)carbamoyl]-4-fluoro-2-methylphenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[5-[(4-cyclopropyloxy-2-fluorophenyl)carbamoyl]-4-fluoro-2-methylphenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-[5-[(4-cyclopropyloxy-2-fluorophenyl)carbamoyl]-4-fluoro-2-methylphenyl]-1,3-thiazole-5-carboxamide is Cc1cc(F)c(C(=O)Nc2ccc(OC3CC3)cc2F)cc1NC(=O)c1cnc(N)s1.
What is the InChIKey of 2-amino-N-[5-[(4-cyclopropyloxy-2-fluorophenyl)carbamoyl]-4-fluoro-2-methylphenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is GGADYYSFUURRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O3S/c1-10-6-14(22)13(8-17(10)27-20(29)18-9-25-21(24)31-18)19(28)26-16-5-4-12(7-15(16)23)30-11-2-3-11/h4-9,11H,2-3H2,1H3,(H2,24,25)(H,26,28)(H,27,29).
What are the key properties of 2-amino-N-[5-[(4-cyclopropyloxy-2-fluorophenyl)carbamoyl]-4-fluoro-2-methylphenyl]-1,3-thiazole-5-carboxamide?
2-amino-N-[5-[(4-cyclopropyloxy-2-fluorophenyl)carbamoyl]-4-fluoro-2-methylphenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 444.46 g/mol, XLogP of 4.36, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-[(4-cyclopropyloxy-2-fluorophenyl)carbamoyl]-4-fluoro-2-methylphenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 176733124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).