N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide;hydrochloride

C18H21ClN4O2S — CID 146052089

IUPACN-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide;hydrochloride
SMILESCc1[nH]c2ccccc2c1-c1csc(NC(=O)CN2CCOCC2)n1.Cl
InChIInChI=1S/C18H20N4O2S.ClH/c1-12-17(13-4-2-3-5-14(13)19-12)15-11-25-18(20-15)21-16(23)10-22-6-8-24-9-7-22;/h2-5,11,19H,6-10H2,1H3,(H,20,21,23);1H
InChIKeyDMDKWSXJIXAAMN-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.29
Rot. Bonds4

About N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide;hydrochloride

N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide;hydrochloride (PubChem CID 146052089) has the molecular formula C18H21ClN4O2S and a molecular weight of 392.91 g/mol. Its IUPAC name is N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide;hydrochloride
PubChem CID146052089
Molecular FormulaC18H21ClN4O2S
Molecular Weight392.91 g/mol
Exact Mass392.11
IUPAC NameN-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide;hydrochloride
SMILESCc1[nH]c2ccccc2c1-c1csc(NC(=O)CN2CCOCC2)n1.Cl
InChIInChI=1S/C18H20N4O2S.ClH/c1-12-17(13-4-2-3-5-14(13)19-12)15-11-25-18(20-15)21-16(23)10-22-6-8-24-9-7-22;/h2-5,11,19H,6-10H2,1H3,(H,20,21,23);1H
InChIKeyDMDKWSXJIXAAMN-UHFFFAOYSA-N
XLogP3.29
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide;hydrochloride?
The IUPAC name of N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide;hydrochloride (CID 146052089) is N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide;hydrochloride.
What is the SMILES notation for N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide;hydrochloride?
The canonical SMILES for N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide;hydrochloride is Cc1[nH]c2ccccc2c1-c1csc(NC(=O)CN2CCOCC2)n1.Cl.
What is the InChIKey of N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide;hydrochloride?
The InChIKey is DMDKWSXJIXAAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S.ClH/c1-12-17(13-4-2-3-5-14(13)19-12)15-11-25-18(20-15)21-16(23)10-22-6-8-24-9-7-22;/h2-5,11,19H,6-10H2,1H3,(H,20,21,23);1H.
What are the key properties of N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide;hydrochloride?
N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide;hydrochloride has a molecular weight of 392.91 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide;hydrochloride is sourced from PubChem (CID 146052089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).