2-methyl-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]propanamide

C22H21N5OS — CID 156760489

IUPAC2-methyl-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]propanamide
SMILESCc1nc(NC(=O)C(C)C)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
InChIInChI=1S/C22H21N5OS/c1-13(2)21(28)25-22-24-14(3)20(29-22)15-7-9-17-18(26-27-19(17)12-15)10-8-16-6-4-5-11-23-16/h4-13H,1-3H3,(H,26,27)(H,24,25,28)/b10-8+
InChIKeySZZZPQHADGNIBL-CSKARUKUSA-N
MW403.51 g/mol
LogP5.15
Rot. Bonds5

About 2-methyl-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]propanamide

2-methyl-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]propanamide (PubChem CID 156760489) has the molecular formula C22H21N5OS and a molecular weight of 403.51 g/mol. Its IUPAC name is 2-methyl-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]propanamide
PubChem CID156760489
Molecular FormulaC22H21N5OS
Molecular Weight403.51 g/mol
Exact Mass403.15
IUPAC Name2-methyl-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]propanamide
SMILESCc1nc(NC(=O)C(C)C)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
InChIInChI=1S/C22H21N5OS/c1-13(2)21(28)25-22-24-14(3)20(29-22)15-7-9-17-18(26-27-19(17)12-15)10-8-16-6-4-5-11-23-16/h4-13H,1-3H3,(H,26,27)(H,24,25,28)/b10-8+
InChIKeySZZZPQHADGNIBL-CSKARUKUSA-N
XLogP5.15
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.51
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Ihmt-trk-284
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2-[4-[(dimethylamino)methyl]phenyl]-N-[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide
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(S)-N1-(5-(1H-indazol-6-yl)thiazol-2-yl)-3-(4-(trifluoromethyl)phenyl)propane-1,2-diamine
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2-(1H-indazol-3-ylamino)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
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3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-pyridin-4-yl-N-(1,3-thiazol-2-yl)propanamide
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4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]benzamide
CID 153531518
N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
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CID 156760473
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]propanamide (CID 156760489) is 2-methyl-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]propanamide is Cc1nc(NC(=O)C(C)C)sc1-c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1.
What is the InChIKey of 2-methyl-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is SZZZPQHADGNIBL-CSKARUKUSA-N. The full InChI is InChI=1S/C22H21N5OS/c1-13(2)21(28)25-22-24-14(3)20(29-22)15-7-9-17-18(26-27-19(17)12-15)10-8-16-6-4-5-11-23-16/h4-13H,1-3H3,(H,26,27)(H,24,25,28)/b10-8+.
What are the key properties of 2-methyl-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]propanamide?
2-methyl-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 403.51 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-methyl-5-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 156760489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).