N-(2-methoxy-5-methylphenyl)-4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine

C20H19N3OS — CID 2446071

IUPACN-(2-methoxy-5-methylphenyl)-4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc(C)cc1Nc1nc(-c2c(C)[nH]c3ccccc23)cs1
InChIInChI=1S/C20H19N3OS/c1-12-8-9-18(24-3)16(10-12)22-20-23-17(11-25-20)19-13(2)21-15-7-5-4-6-14(15)19/h4-11,21H,1-3H3,(H,22,23)
InChIKeyYVNYQVSPOQFAEG-UHFFFAOYSA-N
MW349.46 g/mol
LogP5.66
Rot. Bonds4

About N-(2-methoxy-5-methylphenyl)-4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine

N-(2-methoxy-5-methylphenyl)-4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine (PubChem CID 2446071) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine
PubChem CID2446071
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC NameN-(2-methoxy-5-methylphenyl)-4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc(C)cc1Nc1nc(-c2c(C)[nH]c3ccccc23)cs1
InChIInChI=1S/C20H19N3OS/c1-12-8-9-18(24-3)16(10-12)22-20-23-17(11-25-20)19-13(2)21-15-7-5-4-6-14(15)19/h4-11,21H,1-3H3,(H,22,23)
InChIKeyYVNYQVSPOQFAEG-UHFFFAOYSA-N
XLogP5.66
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.46
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine (CID 2446071) is N-(2-methoxy-5-methylphenyl)-4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine is COc1ccc(C)cc1Nc1nc(-c2c(C)[nH]c3ccccc23)cs1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine?
The InChIKey is YVNYQVSPOQFAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-12-8-9-18(24-3)16(10-12)22-20-23-17(11-25-20)19-13(2)21-15-7-5-4-6-14(15)19/h4-11,21H,1-3H3,(H,22,23).
What are the key properties of N-(2-methoxy-5-methylphenyl)-4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine?
N-(2-methoxy-5-methylphenyl)-4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine has a molecular weight of 349.46 g/mol, XLogP of 5.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2446071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).