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

C13H13N3S — CID 113288748

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylaniline
SMILESCc1ccccc1NCc1cn2ccsc2n1
InChIInChI=1S/C13H13N3S/c1-10-4-2-3-5-12(10)14-8-11-9-16-6-7-17-13(16)15-11/h2-7,9,14H,8H2,1H3
InChIKeyNHZWHLAGZVPWBW-UHFFFAOYSA-N
MW243.34 g/mol
LogP3.32
Rot. Bonds3

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

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylaniline (PubChem CID 113288748) has the molecular formula C13H13N3S and a molecular weight of 243.34 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylaniline.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylaniline
PubChem CID113288748
Molecular FormulaC13H13N3S
Molecular Weight243.34 g/mol
Exact Mass243.08
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylaniline
SMILESCc1ccccc1NCc1cn2ccsc2n1
InChIInChI=1S/C13H13N3S/c1-10-4-2-3-5-12(10)14-8-11-9-16-6-7-17-13(16)15-11/h2-7,9,14H,8H2,1H3
InChIKeyNHZWHLAGZVPWBW-UHFFFAOYSA-N
XLogP3.32
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-methylphenyl)ethanol
CID 115332824
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)-4-methoxy-3-methylaniline
CID 115331566
4-chloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-iodoaniline
CID 107634891
2-bromo-4-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)aniline
CID 113288753
3-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-2-(2-methylphenyl)propan-1-amine
CID 115334399
1-ethyl-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-[(2-methylphenyl)methyl]guanidine
CID 111358950
N-[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)phenyl]acetamide
CID 115331463
6-[2-(bromomethyl)-3-(2-methylphenyl)propyl]imidazo[2,1-b][1,3]thiazole
CID 115335208
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-4-phenylbutan-2-amine
CID 115690864
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole
CID 18804066
3-imidazo[2,1-b][1,3]thiazol-6-yl-2-(2-methylphenyl)propanoic acid
CID 115332537

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylaniline?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylaniline (CID 113288748) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylaniline.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylaniline?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylaniline is Cc1ccccc1NCc1cn2ccsc2n1.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylaniline?
The InChIKey is NHZWHLAGZVPWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S/c1-10-4-2-3-5-12(10)14-8-11-9-16-6-7-17-13(16)15-11/h2-7,9,14H,8H2,1H3.
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylaniline?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylaniline has a molecular weight of 243.34 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylaniline is sourced from PubChem (CID 113288748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).