5-[(2-methoxyethylamino)methyl]-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-1,3-thiazol-2-amine

C18H23N5O2S — CID 87549276

IUPAC5-[(2-methoxyethylamino)methyl]-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-1,3-thiazol-2-amine
SMILESCOCCNCc1cnc(Nc2ccc(-c3ncc(C)[nH]3)c(OC)c2)s1
InChIInChI=1S/C18H23N5O2S/c1-12-9-20-17(22-12)15-5-4-13(8-16(15)25-3)23-18-21-11-14(26-18)10-19-6-7-24-2/h4-5,8-9,11,19H,6-7,10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyLNVFLSWPXNHSSK-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.33
Rot. Bonds9

About 5-[(2-methoxyethylamino)methyl]-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-1,3-thiazol-2-amine

5-[(2-methoxyethylamino)methyl]-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-1,3-thiazol-2-amine (PubChem CID 87549276) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is 5-[(2-methoxyethylamino)methyl]-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-methoxyethylamino)methyl]-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-1,3-thiazol-2-amine
PubChem CID87549276
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC Name5-[(2-methoxyethylamino)methyl]-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-1,3-thiazol-2-amine
SMILESCOCCNCc1cnc(Nc2ccc(-c3ncc(C)[nH]3)c(OC)c2)s1
InChIInChI=1S/C18H23N5O2S/c1-12-9-20-17(22-12)15-5-4-13(8-16(15)25-3)23-18-21-11-14(26-18)10-19-6-7-24-2/h4-5,8-9,11,19H,6-7,10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyLNVFLSWPXNHSSK-UHFFFAOYSA-N
XLogP3.33
TPSA84.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]-1,3-thiazol-4-yl]propan-2-ol
CID 87371058
6-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-2-N-phenylpyridine-2,6-diamine
CID 68631964
N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4,6-di(propan-2-yl)pyrimidin-2-amine
CID 68630492
N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
CID 87549387
3,3,3-trifluoro-N-[(3S)-4-[2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]-1,3-thiazol-4-yl]-3-methylbutyl]propanamide
CID 87549428
6-benzyl-2-chloro-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]pyrimidin-4-amine
CID 87523530
N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 68631300
2-[4-(4-chlorophenyl)-2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]-6,7-dihydro-5H-1,3-benzothiazol-4-yl]acetonitrile
CID 87554193
2-[6-[(4-chlorophenyl)methyl]-2-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)anilino]pyrimidin-4-yl]propan-2-ol
CID 68633058
4-methoxy-1-N-(5-methyl-1,3-thiazol-2-yl)benzene-1,3-diamine
CID 82059167
2-methoxy-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82424209
N-(5-ethyl-1,3-thiazol-2-yl)-2-(2-methoxyethylamino)acetamide
CID 119755328

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyethylamino)methyl]-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-methoxyethylamino)methyl]-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-1,3-thiazol-2-amine (CID 87549276) is 5-[(2-methoxyethylamino)methyl]-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-methoxyethylamino)methyl]-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-methoxyethylamino)methyl]-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-1,3-thiazol-2-amine is COCCNCc1cnc(Nc2ccc(-c3ncc(C)[nH]3)c(OC)c2)s1.
What is the InChIKey of 5-[(2-methoxyethylamino)methyl]-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is LNVFLSWPXNHSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-12-9-20-17(22-12)15-5-4-13(8-16(15)25-3)23-18-21-11-14(26-18)10-19-6-7-24-2/h4-5,8-9,11,19H,6-7,10H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 5-[(2-methoxyethylamino)methyl]-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-1,3-thiazol-2-amine?
5-[(2-methoxyethylamino)methyl]-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 373.48 g/mol, XLogP of 3.33, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyethylamino)methyl]-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 87549276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).