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

C20H17N3O3S — CID 53377427

IUPACN-[4-(1H-indol-5-yl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2nc(-c3ccc4[nH]ccc4c3)cs2)c1
InChIInChI=1S/C20H17N3O3S/c1-25-15-8-14(9-16(10-15)26-2)19(24)23-20-22-18(11-27-20)12-3-4-17-13(7-12)5-6-21-17/h3-11,21H,1-2H3,(H,22,23,24)
InChIKeySSSSWPTVCOWAIB-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.56
Rot. Bonds5

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

N-[4-(1H-indol-5-yl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide (PubChem CID 53377427) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[4-(1H-indol-5-yl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(1H-indol-5-yl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
PubChem CID53377427
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC NameN-[4-(1H-indol-5-yl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2nc(-c3ccc4[nH]ccc4c3)cs2)c1
InChIInChI=1S/C20H17N3O3S/c1-25-15-8-14(9-16(10-15)26-2)19(24)23-20-22-18(11-27-20)12-3-4-17-13(7-12)5-6-21-17/h3-11,21H,1-2H3,(H,22,23,24)
InChIKeySSSSWPTVCOWAIB-UHFFFAOYSA-N
XLogP4.56
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-indol-5-yl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[4-(1H-indol-5-yl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide (CID 53377427) is N-[4-(1H-indol-5-yl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[4-(1H-indol-5-yl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[4-(1H-indol-5-yl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2nc(-c3ccc4[nH]ccc4c3)cs2)c1.
What is the InChIKey of N-[4-(1H-indol-5-yl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide?
The InChIKey is SSSSWPTVCOWAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-25-15-8-14(9-16(10-15)26-2)19(24)23-20-22-18(11-27-20)12-3-4-17-13(7-12)5-6-21-17/h3-11,21H,1-2H3,(H,22,23,24).
What are the key properties of N-[4-(1H-indol-5-yl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide?
N-[4-(1H-indol-5-yl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide has a molecular weight of 379.44 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-indol-5-yl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 53377427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).