N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-methoxy-4-methylbenzamide

C20H17N3O2S — CID 55413859

IUPACN-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)ccc1C
InChIInChI=1S/C20H17N3O2S/c1-12-7-8-13(9-18(12)25-2)19(24)23-20-22-17(11-26-20)15-10-21-16-6-4-3-5-14(15)16/h3-11,21H,1-2H3,(H,22,23,24)
InChIKeyYHLVJXPLZULQDN-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.86
Rot. Bonds4

About N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-methoxy-4-methylbenzamide

N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-methoxy-4-methylbenzamide (PubChem CID 55413859) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-methoxy-4-methylbenzamide
PubChem CID55413859
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC NameN-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)ccc1C
InChIInChI=1S/C20H17N3O2S/c1-12-7-8-13(9-18(12)25-2)19(24)23-20-22-17(11-26-20)15-10-21-16-6-4-3-5-14(15)16/h3-11,21H,1-2H3,(H,22,23,24)
InChIKeyYHLVJXPLZULQDN-UHFFFAOYSA-N
XLogP4.86
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-methyl-3-nitrobenzamide
CID 26208885
3-methoxy-4-methyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 18229856
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 8839526
3-methoxy-4-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 42009828
3-[(dimethylamino)methyl]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide
CID 167861370
3-methoxy-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 17425685
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55341188
ethyl 2-[(3-methoxy-4-methylbenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 51229930
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-3-carboxamide
CID 24562986
2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 16618566
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 734137
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 8839544

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-methoxy-4-methylbenzamide?
The IUPAC name of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-methoxy-4-methylbenzamide (CID 55413859) is N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-methoxy-4-methylbenzamide is COc1cc(C(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)ccc1C.
What is the InChIKey of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-methoxy-4-methylbenzamide?
The InChIKey is YHLVJXPLZULQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-12-7-8-13(9-18(12)25-2)19(24)23-20-22-17(11-26-20)15-10-21-16-6-4-3-5-14(15)16/h3-11,21H,1-2H3,(H,22,23,24).
What are the key properties of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-methoxy-4-methylbenzamide?
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-methoxy-4-methylbenzamide has a molecular weight of 363.44 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 55413859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).