(1-methylindol-5-yl)methyl N-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate

C22H21N3O3S — CID 89469688

IUPAC(1-methylindol-5-yl)methyl N-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
SMILESCOc1ccccc1-c1nc(C)c(NC(=O)OCc2ccc3c(ccn3C)c2)s1
InChIInChI=1S/C22H21N3O3S/c1-14-20(29-21(23-14)17-6-4-5-7-19(17)27-3)24-22(26)28-13-15-8-9-18-16(12-15)10-11-25(18)2/h4-12H,13H2,1-3H3,(H,24,26)
InChIKeyCYWMNMJPEXZTCC-UHFFFAOYSA-N
MW407.50 g/mol
LogP5.37
Rot. Bonds5

About (1-methylindol-5-yl)methyl N-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate

(1-methylindol-5-yl)methyl N-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate (PubChem CID 89469688) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is (1-methylindol-5-yl)methyl N-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate.

Molecular Properties

Compound Name(1-methylindol-5-yl)methyl N-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
PubChem CID89469688
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC Name(1-methylindol-5-yl)methyl N-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
SMILESCOc1ccccc1-c1nc(C)c(NC(=O)OCc2ccc3c(ccn3C)c2)s1
InChIInChI=1S/C22H21N3O3S/c1-14-20(29-21(23-14)17-6-4-5-7-19(17)27-3)24-22(26)28-13-15-8-9-18-16(12-15)10-11-25(18)2/h4-12H,13H2,1-3H3,(H,24,26)
InChIKeyCYWMNMJPEXZTCC-UHFFFAOYSA-N
XLogP5.37
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.50
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-methylindol-5-yl)methyl N-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate?
The IUPAC name of (1-methylindol-5-yl)methyl N-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate (CID 89469688) is (1-methylindol-5-yl)methyl N-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate.
What is the SMILES notation for (1-methylindol-5-yl)methyl N-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate?
The canonical SMILES for (1-methylindol-5-yl)methyl N-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate is COc1ccccc1-c1nc(C)c(NC(=O)OCc2ccc3c(ccn3C)c2)s1.
What is the InChIKey of (1-methylindol-5-yl)methyl N-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate?
The InChIKey is CYWMNMJPEXZTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-14-20(29-21(23-14)17-6-4-5-7-19(17)27-3)24-22(26)28-13-15-8-9-18-16(12-15)10-11-25(18)2/h4-12H,13H2,1-3H3,(H,24,26).
What are the key properties of (1-methylindol-5-yl)methyl N-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate?
(1-methylindol-5-yl)methyl N-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate has a molecular weight of 407.50 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindol-5-yl)methyl N-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate is sourced from PubChem (CID 89469688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).