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

C20H25N3OS — CID 4890507

IUPAC4-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine
SMILESCOc1ccc2[nH]c(C)c(-c3csc(NC4CCCC(C)C4)n3)c2c1
InChIInChI=1S/C20H25N3OS/c1-12-5-4-6-14(9-12)22-20-23-18(11-25-20)19-13(2)21-17-8-7-15(24-3)10-16(17)19/h7-8,10-12,14,21H,4-6,9H2,1-3H3,(H,22,23)
InChIKeyQAJYFAVEACRBRY-UHFFFAOYSA-N
MW355.51 g/mol
LogP5.60
Rot. Bonds4

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

4-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine (PubChem CID 4890507) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is 4-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine
PubChem CID4890507
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC Name4-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine
SMILESCOc1ccc2[nH]c(C)c(-c3csc(NC4CCCC(C)C4)n3)c2c1
InChIInChI=1S/C20H25N3OS/c1-12-5-4-6-14(9-12)22-20-23-18(11-25-20)19-13(2)21-17-8-7-15(24-3)10-16(17)19/h7-8,10-12,14,21H,4-6,9H2,1-3H3,(H,22,23)
InChIKeyQAJYFAVEACRBRY-UHFFFAOYSA-N
XLogP5.60
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.51
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine with MolForge

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Related Compounds

(2R)-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-ylpropanamide
CID 95850182
(2R)-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 51598314
6-methoxy-2-(5-methoxy-2-methyl-1H-indol-3-yl)quinoline
CID 18729716
4-(1-benzyl-5-chloro-2-methylindol-3-yl)-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine
CID 4890388
2-chloro-5-methoxy-N-(3-methylcyclohexyl)aniline
CID 55193326
7-methoxy-N-(3-methylcyclopentyl)isoquinolin-1-amine
CID 106539967
5-methoxy-2-methyl-3-thiophen-2-yl-1H-indole
CID 53235789
N-cyclopentyl-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 8961735
N-cyclohexyl-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212089
3-acetamido-3-(4-methoxyphenyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide
CID 42931144
5-methoxy-2-methyl-3-phenyl-1H-indole
CID 11564934
4,6-dimethyl-N-(3-methylcyclohexyl)pyrimidin-2-amine
CID 43428255

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine (CID 4890507) is 4-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine is COc1ccc2[nH]c(C)c(-c3csc(NC4CCCC(C)C4)n3)c2c1.
What is the InChIKey of 4-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine?
The InChIKey is QAJYFAVEACRBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS/c1-12-5-4-6-14(9-12)22-20-23-18(11-25-20)19-13(2)21-17-8-7-15(24-3)10-16(17)19/h7-8,10-12,14,21H,4-6,9H2,1-3H3,(H,22,23).
What are the key properties of 4-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine?
4-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine has a molecular weight of 355.51 g/mol, XLogP of 5.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 4890507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).