N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxy-3-methylaniline

C14H15N3OS — CID 115331566

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxy-3-methylaniline
SMILESCOc1ccc(NCc2cn3ccsc3n2)cc1C
InChIInChI=1S/C14H15N3OS/c1-10-7-11(3-4-13(10)18-2)15-8-12-9-17-5-6-19-14(17)16-12/h3-7,9,15H,8H2,1-2H3
InChIKeyCPZZZXNJZLCRCS-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.32
Rot. Bonds4

About N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxy-3-methylaniline

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxy-3-methylaniline (PubChem CID 115331566) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxy-3-methylaniline.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxy-3-methylaniline
PubChem CID115331566
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxy-3-methylaniline
SMILESCOc1ccc(NCc2cn3ccsc3n2)cc1C
InChIInChI=1S/C14H15N3OS/c1-10-7-11(3-4-13(10)18-2)15-8-12-9-17-5-6-19-14(17)16-12/h3-7,9,15H,8H2,1-2H3
InChIKeyCPZZZXNJZLCRCS-UHFFFAOYSA-N
XLogP3.32
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-3-(trifluoromethyl)aniline
CID 115331578
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-benzothiophen-5-amine
CID 115331690
[2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-methoxy-3-methylphenyl)ethyl]hydrazine
CID 105258306
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-benzothiazol-6-amine
CID 107804908
N-[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)phenyl]acetamide
CID 115331463
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylaniline
CID 113288748
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-(trifluoromethyl)aniline
CID 115331445
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methoxy-4-methylphenyl)ethanone
CID 115792064
N-[(1-tert-butyltriazol-4-yl)methyl]-4-methoxy-3-methylaniline
CID 103398997
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 105023464
4-methoxy-3-methyl-N-(thiophen-2-ylmethyl)aniline
CID 61059321
2-(3,4-dimethoxyphenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55561095

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxy-3-methylaniline?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxy-3-methylaniline (CID 115331566) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxy-3-methylaniline.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxy-3-methylaniline?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxy-3-methylaniline is COc1ccc(NCc2cn3ccsc3n2)cc1C.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxy-3-methylaniline?
The InChIKey is CPZZZXNJZLCRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-10-7-11(3-4-13(10)18-2)15-8-12-9-17-5-6-19-14(17)16-12/h3-7,9,15H,8H2,1-2H3.
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxy-3-methylaniline?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxy-3-methylaniline has a molecular weight of 273.36 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxy-3-methylaniline is sourced from PubChem (CID 115331566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).