4,5-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine

C24H27N5OS — CID 110093041

IUPAC4,5-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCc1nc(Nc2cccc(C3CN(Cc4cn(C)c5ccccc45)CCO3)n2)sc1C
InChIInChI=1S/C24H27N5OS/c1-16-17(2)31-24(25-16)27-23-10-6-8-20(26-23)22-15-29(11-12-30-22)14-18-13-28(3)21-9-5-4-7-19(18)21/h4-10,13,22H,11-12,14-15H2,1-3H3,(H,25,26,27)
InChIKeyGLFSVKLPGWAQJW-UHFFFAOYSA-N
MW433.58 g/mol
LogP4.96
Rot. Bonds5

About 4,5-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine

4,5-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 110093041) has the molecular formula C24H27N5OS and a molecular weight of 433.58 g/mol. Its IUPAC name is 4,5-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine
PubChem CID110093041
Molecular FormulaC24H27N5OS
Molecular Weight433.58 g/mol
Exact Mass433.19
IUPAC Name4,5-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCc1nc(Nc2cccc(C3CN(Cc4cn(C)c5ccccc45)CCO3)n2)sc1C
InChIInChI=1S/C24H27N5OS/c1-16-17(2)31-24(25-16)27-23-10-6-8-20(26-23)22-15-29(11-12-30-22)14-18-13-28(3)21-9-5-4-7-19(18)21/h4-10,13,22H,11-12,14-15H2,1-3H3,(H,25,26,27)
InChIKeyGLFSVKLPGWAQJW-UHFFFAOYSA-N
XLogP4.96
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of 4,5-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine (CID 110093041) is 4,5-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine is Cc1nc(Nc2cccc(C3CN(Cc4cn(C)c5ccccc45)CCO3)n2)sc1C.
What is the InChIKey of 4,5-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is GLFSVKLPGWAQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5OS/c1-16-17(2)31-24(25-16)27-23-10-6-8-20(26-23)22-15-29(11-12-30-22)14-18-13-28(3)21-9-5-4-7-19(18)21/h4-10,13,22H,11-12,14-15H2,1-3H3,(H,25,26,27).
What are the key properties of 4,5-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine?
4,5-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 433.58 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 110093041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).