N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-3-(3-methylindazol-1-yl)propanamide

C21H19ClN4OS — CID 71690200

IUPACN-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-3-(3-methylindazol-1-yl)propanamide
SMILESCc1nn(CCC(=O)NCc2nc(-c3ccc(Cl)cc3)cs2)c2ccccc12
InChIInChI=1S/C21H19ClN4OS/c1-14-17-4-2-3-5-19(17)26(25-14)11-10-20(27)23-12-21-24-18(13-28-21)15-6-8-16(22)9-7-15/h2-9,13H,10-12H2,1H3,(H,23,27)
InChIKeyGFWHFXUUNCWLJF-UHFFFAOYSA-N
MW410.93 g/mol
LogP4.83
Rot. Bonds6

About N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-3-(3-methylindazol-1-yl)propanamide

N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-3-(3-methylindazol-1-yl)propanamide (PubChem CID 71690200) has the molecular formula C21H19ClN4OS and a molecular weight of 410.93 g/mol. Its IUPAC name is N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-3-(3-methylindazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-3-(3-methylindazol-1-yl)propanamide
PubChem CID71690200
Molecular FormulaC21H19ClN4OS
Molecular Weight410.93 g/mol
Exact Mass410.10
IUPAC NameN-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-3-(3-methylindazol-1-yl)propanamide
SMILESCc1nn(CCC(=O)NCc2nc(-c3ccc(Cl)cc3)cs2)c2ccccc12
InChIInChI=1S/C21H19ClN4OS/c1-14-17-4-2-3-5-19(17)26(25-14)11-10-20(27)23-12-21-24-18(13-28-21)15-6-8-16(22)9-7-15/h2-9,13H,10-12H2,1H3,(H,23,27)
InChIKeyGFWHFXUUNCWLJF-UHFFFAOYSA-N
XLogP4.83
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.93
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)sulfanyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propanamide
CID 60556784
2-(4-methyl-1-oxophthalazin-2-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]acetamide
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N'-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]heptanediamide
CID 171617303
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 8963664
4-(5-chlorothiophen-2-yl)-4-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide
CID 60510774
3-phenyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]propanamide
CID 110318189
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-4-chlorobenzamide
CID 110351814
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 51255004
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 34807259
3-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 51315920
4-(2,5-dimethylphenyl)-4-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butanamide
CID 55842691
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-3-(3-methylindazol-1-yl)propanamide?
The IUPAC name of N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-3-(3-methylindazol-1-yl)propanamide (CID 71690200) is N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-3-(3-methylindazol-1-yl)propanamide.
What is the SMILES notation for N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-3-(3-methylindazol-1-yl)propanamide?
The canonical SMILES for N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-3-(3-methylindazol-1-yl)propanamide is Cc1nn(CCC(=O)NCc2nc(-c3ccc(Cl)cc3)cs2)c2ccccc12.
What is the InChIKey of N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-3-(3-methylindazol-1-yl)propanamide?
The InChIKey is GFWHFXUUNCWLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4OS/c1-14-17-4-2-3-5-19(17)26(25-14)11-10-20(27)23-12-21-24-18(13-28-21)15-6-8-16(22)9-7-15/h2-9,13H,10-12H2,1H3,(H,23,27).
What are the key properties of N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-3-(3-methylindazol-1-yl)propanamide?
N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-3-(3-methylindazol-1-yl)propanamide has a molecular weight of 410.93 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-3-(3-methylindazol-1-yl)propanamide is sourced from PubChem (CID 71690200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).