5-(4-fluorophenyl)-N,2-dimethyl-N-[2-[(1-methylindazole-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxamide

C23H22FN5O2S — CID 25188687

IUPAC5-(4-fluorophenyl)-N,2-dimethyl-N-[2-[(1-methylindazole-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(C)CCNC(=O)c2nn(C)c3ccccc23)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C23H22FN5O2S/c1-14-26-20(21(32-14)15-8-10-16(24)11-9-15)23(31)28(2)13-12-25-22(30)19-17-6-4-5-7-18(17)29(3)27-19/h4-11H,12-13H2,1-3H3,(H,25,30)
InChIKeyQVILXJLKNBGAQI-UHFFFAOYSA-N
MW451.53 g/mol
LogP3.65
Rot. Bonds6

About 5-(4-fluorophenyl)-N,2-dimethyl-N-[2-[(1-methylindazole-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxamide

5-(4-fluorophenyl)-N,2-dimethyl-N-[2-[(1-methylindazole-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 25188687) has the molecular formula C23H22FN5O2S and a molecular weight of 451.53 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N,2-dimethyl-N-[2-[(1-methylindazole-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N,2-dimethyl-N-[2-[(1-methylindazole-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxamide
PubChem CID25188687
Molecular FormulaC23H22FN5O2S
Molecular Weight451.53 g/mol
Exact Mass451.15
IUPAC Name5-(4-fluorophenyl)-N,2-dimethyl-N-[2-[(1-methylindazole-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(C)CCNC(=O)c2nn(C)c3ccccc23)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C23H22FN5O2S/c1-14-26-20(21(32-14)15-8-10-16(24)11-9-15)23(31)28(2)13-12-25-22(30)19-17-6-4-5-7-18(17)29(3)27-19/h4-11H,12-13H2,1-3H3,(H,25,30)
InChIKeyQVILXJLKNBGAQI-UHFFFAOYSA-N
XLogP3.65
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N,2-dimethyl-N-[2-[(1-methylindazole-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N,2-dimethyl-N-[2-[(1-methylindazole-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxamide (CID 25188687) is 5-(4-fluorophenyl)-N,2-dimethyl-N-[2-[(1-methylindazole-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N,2-dimethyl-N-[2-[(1-methylindazole-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N,2-dimethyl-N-[2-[(1-methylindazole-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)N(C)CCNC(=O)c2nn(C)c3ccccc23)c(-c2ccc(F)cc2)s1.
What is the InChIKey of 5-(4-fluorophenyl)-N,2-dimethyl-N-[2-[(1-methylindazole-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is QVILXJLKNBGAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2S/c1-14-26-20(21(32-14)15-8-10-16(24)11-9-15)23(31)28(2)13-12-25-22(30)19-17-6-4-5-7-18(17)29(3)27-19/h4-11H,12-13H2,1-3H3,(H,25,30).
What are the key properties of 5-(4-fluorophenyl)-N,2-dimethyl-N-[2-[(1-methylindazole-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxamide?
5-(4-fluorophenyl)-N,2-dimethyl-N-[2-[(1-methylindazole-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N,2-dimethyl-N-[2-[(1-methylindazole-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 25188687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).