2-methyl-N-[6-(3-morpholin-4-ylsulfonylphenyl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide

C22H21N5O4S2 — CID 44540681

IUPAC2-methyl-N-[6-(3-morpholin-4-ylsulfonylphenyl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)cc3[nH]ncc23)cs1
InChIInChI=1S/C22H21N5O4S2/c1-14-24-21(13-32-14)22(28)25-19-10-16(11-20-18(19)12-23-26-20)15-3-2-4-17(9-15)33(29,30)27-5-7-31-8-6-27/h2-4,9-13H,5-8H2,1H3,(H,23,26)(H,25,28)
InChIKeyJRXMMNDMTCJHPA-UHFFFAOYSA-N
MW483.58 g/mol
LogP3.27
Rot. Bonds5

About 2-methyl-N-[6-(3-morpholin-4-ylsulfonylphenyl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide

2-methyl-N-[6-(3-morpholin-4-ylsulfonylphenyl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 44540681) has the molecular formula C22H21N5O4S2 and a molecular weight of 483.58 g/mol. Its IUPAC name is 2-methyl-N-[6-(3-morpholin-4-ylsulfonylphenyl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[6-(3-morpholin-4-ylsulfonylphenyl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID44540681
Molecular FormulaC22H21N5O4S2
Molecular Weight483.58 g/mol
Exact Mass483.10
IUPAC Name2-methyl-N-[6-(3-morpholin-4-ylsulfonylphenyl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)cc3[nH]ncc23)cs1
InChIInChI=1S/C22H21N5O4S2/c1-14-24-21(13-32-14)22(28)25-19-10-16(11-20-18(19)12-23-26-20)15-3-2-4-17(9-15)33(29,30)27-5-7-31-8-6-27/h2-4,9-13H,5-8H2,1H3,(H,23,26)(H,25,28)
InChIKeyJRXMMNDMTCJHPA-UHFFFAOYSA-N
XLogP3.27
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.58
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine
CID 663895
N-(1H-indazol-4-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 110474099
2-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide
CID 51126593
N-[6-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 58255815
3-morpholin-4-ylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 4852314
N-(5-fluoro-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 3653486
N-(2-methylphenyl)-4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 17012719
2-methyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-6-phenylpyridine-3-carboxamide
CID 24529088
N-[(2R)-1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 94003862
N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-2-(piperidin-1-ylmethyl)-1,3-thiazole-4-carboxamide
CID 44540863
4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylmorpholine
CID 53042642
N-[(2R)-1-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 2562086

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-(3-morpholin-4-ylsulfonylphenyl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-N-[6-(3-morpholin-4-ylsulfonylphenyl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide (CID 44540681) is 2-methyl-N-[6-(3-morpholin-4-ylsulfonylphenyl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[6-(3-morpholin-4-ylsulfonylphenyl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-[6-(3-morpholin-4-ylsulfonylphenyl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2cc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)cc3[nH]ncc23)cs1.
What is the InChIKey of 2-methyl-N-[6-(3-morpholin-4-ylsulfonylphenyl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is JRXMMNDMTCJHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4S2/c1-14-24-21(13-32-14)22(28)25-19-10-16(11-20-18(19)12-23-26-20)15-3-2-4-17(9-15)33(29,30)27-5-7-31-8-6-27/h2-4,9-13H,5-8H2,1H3,(H,23,26)(H,25,28).
What are the key properties of 2-methyl-N-[6-(3-morpholin-4-ylsulfonylphenyl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide?
2-methyl-N-[6-(3-morpholin-4-ylsulfonylphenyl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 483.58 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[6-(3-morpholin-4-ylsulfonylphenyl)-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 44540681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).