2-acetamido-N-[3-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide

C23H21N5O2S — CID 44525326

IUPAC2-acetamido-N-[3-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)Nc2cccc(-c3ccc4c(cnn4CC4CC4)c3)c2)cs1
InChIInChI=1S/C23H21N5O2S/c1-14(29)25-23-27-20(13-31-23)22(30)26-19-4-2-3-16(10-19)17-7-8-21-18(9-17)11-24-28(21)12-15-5-6-15/h2-4,7-11,13,15H,5-6,12H2,1H3,(H,26,30)(H,25,27,29)
InChIKeyVGDMAYHZTCJORS-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.78
Rot. Bonds6

About 2-acetamido-N-[3-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide

2-acetamido-N-[3-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 44525326) has the molecular formula C23H21N5O2S and a molecular weight of 431.52 g/mol. Its IUPAC name is 2-acetamido-N-[3-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[3-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide
PubChem CID44525326
Molecular FormulaC23H21N5O2S
Molecular Weight431.52 g/mol
Exact Mass431.14
IUPAC Name2-acetamido-N-[3-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)Nc2cccc(-c3ccc4c(cnn4CC4CC4)c3)c2)cs1
InChIInChI=1S/C23H21N5O2S/c1-14(29)25-23-27-20(13-31-23)22(30)26-19-4-2-3-16(10-19)17-7-8-21-18(9-17)11-24-28(21)12-15-5-6-15/h2-4,7-11,13,15H,5-6,12H2,1H3,(H,26,30)(H,25,27,29)
InChIKeyVGDMAYHZTCJORS-UHFFFAOYSA-N
XLogP4.78
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-acetamido-N-[3-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-1,3-thiazole-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 2-acetamido-N-[3-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-acetamido-N-[3-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide (CID 44525326) is 2-acetamido-N-[3-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-[3-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-acetamido-N-[3-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide is CC(=O)Nc1nc(C(=O)Nc2cccc(-c3ccc4c(cnn4CC4CC4)c3)c2)cs1.
What is the InChIKey of 2-acetamido-N-[3-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is VGDMAYHZTCJORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2S/c1-14(29)25-23-27-20(13-31-23)22(30)26-19-4-2-3-16(10-19)17-7-8-21-18(9-17)11-24-28(21)12-15-5-6-15/h2-4,7-11,13,15H,5-6,12H2,1H3,(H,26,30)(H,25,27,29).
What are the key properties of 2-acetamido-N-[3-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide?
2-acetamido-N-[3-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 431.52 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[3-[1-(cyclopropylmethyl)indazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 44525326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).