4-methoxy-N-(1,3-thiazol-5-ylmethyl)aniline

C11H12N2OS — CID 62760158

IUPAC4-methoxy-N-(1,3-thiazol-5-ylmethyl)aniline
SMILESCOc1ccc(NCc2cncs2)cc1
InChIInChI=1S/C11H12N2OS/c1-14-10-4-2-9(3-5-10)13-7-11-6-12-8-15-11/h2-6,8,13H,7H2,1H3
InChIKeyJPWIQQVRLZGKGE-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.76
Rot. Bonds4

About 4-methoxy-N-(1,3-thiazol-5-ylmethyl)aniline

4-methoxy-N-(1,3-thiazol-5-ylmethyl)aniline (PubChem CID 62760158) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 4-methoxy-N-(1,3-thiazol-5-ylmethyl)aniline.

Molecular Properties

Compound Name4-methoxy-N-(1,3-thiazol-5-ylmethyl)aniline
PubChem CID62760158
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name4-methoxy-N-(1,3-thiazol-5-ylmethyl)aniline
SMILESCOc1ccc(NCc2cncs2)cc1
InChIInChI=1S/C11H12N2OS/c1-14-10-4-2-9(3-5-10)13-7-11-6-12-8-15-11/h2-6,8,13H,7H2,1H3
InChIKeyJPWIQQVRLZGKGE-UHFFFAOYSA-N
XLogP2.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(2-chloroethyl)-N-(1,3-thiazol-5-ylmethyl)aniline
CID 112644372
4-methoxy-N-(1,3-thiazol-5-ylmethyl)pyrimidin-2-amine
CID 104577405
N-[4-(4-methoxyanilino)phenyl]-3-(1,3-thiazol-5-yl)propanamide
CID 167791803
4-(4-methoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)butan-2-amine
CID 115732215
[1-(4-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105190796
propyl 4-(1,3-thiazol-5-ylmethylamino)benzoate
CID 62760898
4-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60685427
4-(1H-pyrazol-5-yl)-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62759823
4-methoxy-N-[[6-[(4-methoxyanilino)methyl]-2-pyridinyl]methyl]aniline
CID 23539990
2-methyl-N-(1,3-thiazol-5-ylmethyl)-3H-benzimidazol-5-amine
CID 62759070
4-methoxy-N-[(4-phenylthiophen-2-yl)methyl]aniline
CID 61019202
4-(difluoromethylsulfonyl)-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62759433

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1,3-thiazol-5-ylmethyl)aniline?
The IUPAC name of 4-methoxy-N-(1,3-thiazol-5-ylmethyl)aniline (CID 62760158) is 4-methoxy-N-(1,3-thiazol-5-ylmethyl)aniline.
What is the SMILES notation for 4-methoxy-N-(1,3-thiazol-5-ylmethyl)aniline?
The canonical SMILES for 4-methoxy-N-(1,3-thiazol-5-ylmethyl)aniline is COc1ccc(NCc2cncs2)cc1.
What is the InChIKey of 4-methoxy-N-(1,3-thiazol-5-ylmethyl)aniline?
The InChIKey is JPWIQQVRLZGKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-14-10-4-2-9(3-5-10)13-7-11-6-12-8-15-11/h2-6,8,13H,7H2,1H3.
What are the key properties of 4-methoxy-N-(1,3-thiazol-5-ylmethyl)aniline?
4-methoxy-N-(1,3-thiazol-5-ylmethyl)aniline has a molecular weight of 220.30 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1,3-thiazol-5-ylmethyl)aniline is sourced from PubChem (CID 62760158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).