N-[4-(2,4,6-trimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide

C21H19N3O4S — CID 21249500

IUPACN-[4-(2,4,6-trimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide
SMILESCOc1cc(OC)c(-c2csc(NC(=O)c3cc4ccccc4[nH]3)n2)c(OC)c1
InChIInChI=1S/C21H19N3O4S/c1-26-13-9-17(27-2)19(18(10-13)28-3)16-11-29-21(23-16)24-20(25)15-8-12-6-4-5-7-14(12)22-15/h4-11,22H,1-3H3,(H,23,24,25)
InChIKeyDBENOXXRBBWIEE-UHFFFAOYSA-N
MW409.47 g/mol
LogP4.57
Rot. Bonds6

About N-[4-(2,4,6-trimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide

N-[4-(2,4,6-trimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide (PubChem CID 21249500) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is N-[4-(2,4,6-trimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2,4,6-trimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide
PubChem CID21249500
Molecular FormulaC21H19N3O4S
Molecular Weight409.47 g/mol
Exact Mass409.11
IUPAC NameN-[4-(2,4,6-trimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide
SMILESCOc1cc(OC)c(-c2csc(NC(=O)c3cc4ccccc4[nH]3)n2)c(OC)c1
InChIInChI=1S/C21H19N3O4S/c1-26-13-9-17(27-2)19(18(10-13)28-3)16-11-29-21(23-16)24-20(25)15-8-12-6-4-5-7-14(12)22-15/h4-11,22H,1-3H3,(H,23,24,25)
InChIKeyDBENOXXRBBWIEE-UHFFFAOYSA-N
XLogP4.57
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4,6-trimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of N-[4-(2,4,6-trimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide (CID 21249500) is N-[4-(2,4,6-trimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-(2,4,6-trimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-(2,4,6-trimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide is COc1cc(OC)c(-c2csc(NC(=O)c3cc4ccccc4[nH]3)n2)c(OC)c1.
What is the InChIKey of N-[4-(2,4,6-trimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide?
The InChIKey is DBENOXXRBBWIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S/c1-26-13-9-17(27-2)19(18(10-13)28-3)16-11-29-21(23-16)24-20(25)15-8-12-6-4-5-7-14(12)22-15/h4-11,22H,1-3H3,(H,23,24,25).
What are the key properties of N-[4-(2,4,6-trimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide?
N-[4-(2,4,6-trimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide has a molecular weight of 409.47 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4,6-trimethoxyphenyl)-1,3-thiazol-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 21249500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).