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

C19H17N3OS — CID 2443325

IUPAC4-(1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(C)cc1Nc1nc(-c2c[nH]c3ccccc23)cs1
InChIInChI=1S/C19H17N3OS/c1-12-7-8-18(23-2)16(9-12)21-19-22-17(11-24-19)14-10-20-15-6-4-3-5-13(14)15/h3-11,20H,1-2H3,(H,21,22)
InChIKeyKOAQYVYUIIYVJK-UHFFFAOYSA-N
MW335.43 g/mol
LogP5.35
Rot. Bonds4

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

4-(1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 2443325) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-amine
PubChem CID2443325
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name4-(1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(C)cc1Nc1nc(-c2c[nH]c3ccccc23)cs1
InChIInChI=1S/C19H17N3OS/c1-12-7-8-18(23-2)16(9-12)21-19-22-17(11-24-19)14-10-20-15-6-4-3-5-13(14)15/h3-11,20H,1-2H3,(H,21,22)
InChIKeyKOAQYVYUIIYVJK-UHFFFAOYSA-N
XLogP5.35
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.43
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Methoxy-phenyl)-(4-pyridin-3-yl-thiazol-2-yl)-amine
CID 704576
N-(3-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}phenyl)-1,3-thiazol-2-amine
CID 10216834
4-(5-methoxy-2-methyl-1H-indol-3-yl)-N-methyl-1,3-thiazol-2-amine
CID 946068
N-(2-ethoxyphenyl)-4-(3-pyridinyl)-1,3-thiazol-2-amine
CID 746691
4-(1H-indol-3-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 2085121
1-(2-Methoxyphenyl)-3-[2-(2-methyl-1H-indol-3-YL)ethyl]-3-[(thiophen-2-YL)methyl]thiourea
CID 2157788
N-(2-methoxy-5-methylphenyl)-4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine
CID 2446071
1-[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]-3-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]urea
CID 44533696
(E)-N-((1H-Indol-3-yl)methylene)-4-(2,4-diethoxyphenyl)thiazol-2-amine
CID 135931723
N-[(E)-1H-indol-3-ylmethylideneamino]-4-(3-methoxyphenyl)-1,3-thiazol-2-amine
CID 136199838
3-(1H-indol-3-yl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 136239282
4-(5-ethoxy-1H-indol-3-yl)-1,3-thiazol-2-amine
CID 1970474

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-amine (CID 2443325) is 4-(1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-amine is COc1ccc(C)cc1Nc1nc(-c2c[nH]c3ccccc23)cs1.
What is the InChIKey of 4-(1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is KOAQYVYUIIYVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-12-7-8-18(23-2)16(9-12)21-19-22-17(11-24-19)14-10-20-15-6-4-3-5-13(14)15/h3-11,20H,1-2H3,(H,21,22).
What are the key properties of 4-(1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-amine?
4-(1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 335.43 g/mol, XLogP of 5.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2443325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).