N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide

C21H18ClN3OS — CID 16559200

IUPACN-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1ncc(Cc2ccc(Cl)cc2)s1
InChIInChI=1S/C21H18ClN3OS/c22-16-8-5-14(6-9-16)11-17-13-24-21(27-17)25-20(26)10-7-15-12-23-19-4-2-1-3-18(15)19/h1-6,8-9,12-13,23H,7,10-11H2,(H,24,25,26)
InChIKeyWVBHQCLSPFRXFW-UHFFFAOYSA-N
MW395.92 g/mol
LogP5.44
Rot. Bonds6

About N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide

N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide (PubChem CID 16559200) has the molecular formula C21H18ClN3OS and a molecular weight of 395.92 g/mol. Its IUPAC name is N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
PubChem CID16559200
Molecular FormulaC21H18ClN3OS
Molecular Weight395.92 g/mol
Exact Mass395.09
IUPAC NameN-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1ncc(Cc2ccc(Cl)cc2)s1
InChIInChI=1S/C21H18ClN3OS/c22-16-8-5-14(6-9-16)11-17-13-24-21(27-17)25-20(26)10-7-15-12-23-19-4-2-1-3-18(15)19/h1-6,8-9,12-13,23H,7,10-11H2,(H,24,25,26)
InChIKeyWVBHQCLSPFRXFW-UHFFFAOYSA-N
XLogP5.44
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.92
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methylsulfanylpropanamide
CID 24645705
N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide
CID 19407183
N-(5-benzyl-1,3-thiazol-2-yl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16599674
4-(4-chlorophenyl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-oxobutanamide
CID 55384945
2-benzylsulfanyl-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 23854688
N-[(4-chlorophenyl)methyl]-4-(1H-indol-3-yl)butanamide
CID 2114507
4-[(5-benzyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 27407164
4-chloro-N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide
CID 2088419
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(2,5-dioxopyrrolidin-1-yl)butanamide
CID 17034977
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 26011624
3-(1H-indol-3-yl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 17472906
N-[2-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 4796028

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide (CID 16559200) is N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide is O=C(CCc1c[nH]c2ccccc12)Nc1ncc(Cc2ccc(Cl)cc2)s1.
What is the InChIKey of N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is WVBHQCLSPFRXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3OS/c22-16-8-5-14(6-9-16)11-17-13-24-21(27-17)25-20(26)10-7-15-12-23-19-4-2-1-3-18(15)19/h1-6,8-9,12-13,23H,7,10-11H2,(H,24,25,26).
What are the key properties of N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide?
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 395.92 g/mol, XLogP of 5.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 16559200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).