N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine

C12H13N3OS2 — CID 43769303

IUPACN-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCOc1nc2sccn2c1CNCc1cccs1
InChIInChI=1S/C12H13N3OS2/c1-16-11-10(15-4-6-18-12(15)14-11)8-13-7-9-3-2-5-17-9/h2-6,13H,7-8H2,1H3
InChIKeyJAENZUBCBLULMO-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.76
Rot. Bonds5

About N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine

N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine (PubChem CID 43769303) has the molecular formula C12H13N3OS2 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
PubChem CID43769303
Molecular FormulaC12H13N3OS2
Molecular Weight279.39 g/mol
Exact Mass279.05
IUPAC NameN-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCOc1nc2sccn2c1CNCc1cccs1
InChIInChI=1S/C12H13N3OS2/c1-16-11-10(15-4-6-18-12(15)14-11)8-13-7-9-3-2-5-17-9/h2-6,13H,7-8H2,1H3
InChIKeyJAENZUBCBLULMO-UHFFFAOYSA-N
XLogP2.76
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43433381
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methoxyphenyl)methanamine
CID 43758018
1-(2-ethylphenyl)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
CID 64681770
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylethanamine
CID 43761861
2-methoxy-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 43756272
3,3,3-trifluoro-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 63226560
3-methoxy-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43769566
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-thiophen-2-ylethanamine
CID 43763585
N-(1H-imidazol-2-ylmethyl)-1-(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 64547605
N-[[6-(2-methoxyphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 43476724
3-(2-methoxyethoxy)-N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43770890
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]morpholin-4-amine
CID 83010121

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine (CID 43769303) is N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine is COc1nc2sccn2c1CNCc1cccs1.
What is the InChIKey of N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is JAENZUBCBLULMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS2/c1-16-11-10(15-4-6-18-12(15)14-11)8-13-7-9-3-2-5-17-9/h2-6,13H,7-8H2,1H3.
What are the key properties of N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine?
N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 279.39 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxyimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 43769303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).