N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-1H-indazole-3-carboxamide

C21H19N5O2S — CID 41452060

IUPACN-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1n[nH]c2ccccc12
InChIInChI=1S/C21H19N5O2S/c27-20(19-16-3-1-2-4-17(16)24-25-19)22-15-7-5-14(6-8-15)18-13-29-21(23-18)26-9-11-28-12-10-26/h1-8,13H,9-12H2,(H,22,27)(H,24,25)
InChIKeySVORBCXSIAFZBM-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.78
Rot. Bonds4

About N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-1H-indazole-3-carboxamide

N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-1H-indazole-3-carboxamide (PubChem CID 41452060) has the molecular formula C21H19N5O2S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-1H-indazole-3-carboxamide
PubChem CID41452060
Molecular FormulaC21H19N5O2S
Molecular Weight405.48 g/mol
Exact Mass405.13
IUPAC NameN-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1n[nH]c2ccccc12
InChIInChI=1S/C21H19N5O2S/c27-20(19-16-3-1-2-4-17(16)24-25-19)22-15-7-5-14(6-8-15)18-13-29-21(23-18)26-9-11-28-12-10-26/h1-8,13H,9-12H2,(H,22,27)(H,24,25)
InChIKeySVORBCXSIAFZBM-UHFFFAOYSA-N
XLogP3.78
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-1H-indole-3-carboxamide
CID 24629987
6-[[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 167811855
N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 17493632
2-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 166427762
5-iodo-N-(4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide
CID 11744370
2-(dimethylamino)-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide
CID 38936617
3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 41248355
5-fluoro-2-methoxy-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 26012155
N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide
CID 810332
(E)-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-thiophen-3-ylprop-2-enamide
CID 24573079
N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-1H-indazole-3-carboxamide
CID 51129949
1-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-3-spiro[3.3]heptan-2-ylurea
CID 166240344

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-1H-indazole-3-carboxamide (CID 41452060) is N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-1H-indazole-3-carboxamide is O=C(Nc1ccc(-c2csc(N3CCOCC3)n2)cc1)c1n[nH]c2ccccc12.
What is the InChIKey of N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-1H-indazole-3-carboxamide?
The InChIKey is SVORBCXSIAFZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2S/c27-20(19-16-3-1-2-4-17(16)24-25-19)22-15-7-5-14(6-8-15)18-13-29-21(23-18)26-9-11-28-12-10-26/h1-8,13H,9-12H2,(H,22,27)(H,24,25).
What are the key properties of N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-1H-indazole-3-carboxamide?
N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-1H-indazole-3-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 41452060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).