1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]-N-methylbutan-1-amine

C15H20N4S — CID 115332701

IUPAC1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]-N-methylbutan-1-amine
SMILESCCCC(NC)c1ccn(Cc2cn3ccsc3n2)c1
InChIInChI=1S/C15H20N4S/c1-3-4-14(16-2)12-5-6-18(9-12)10-13-11-19-7-8-20-15(19)17-13/h5-9,11,14,16H,3-4,10H2,1-2H3
InChIKeyMQYVIXLMHYGBTE-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.31
Rot. Bonds6

About 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]-N-methylbutan-1-amine

1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]-N-methylbutan-1-amine (PubChem CID 115332701) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]-N-methylbutan-1-amine
PubChem CID115332701
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]-N-methylbutan-1-amine
SMILESCCCC(NC)c1ccn(Cc2cn3ccsc3n2)c1
InChIInChI=1S/C15H20N4S/c1-3-4-14(16-2)12-5-6-18(9-12)10-13-11-19-7-8-20-15(19)17-13/h5-9,11,14,16H,3-4,10H2,1-2H3
InChIKeyMQYVIXLMHYGBTE-UHFFFAOYSA-N
XLogP3.31
TPSA34.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]butan-1-amine
CID 79108454
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]butan-2-amine
CID 115334464
1-[1-[(5-ethylthiophen-2-yl)methyl]pyrrol-3-yl]-N-methylbutan-1-amine
CID 79109274
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 115332686
1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-3-phenylpentan-2-amine
CID 105023549
3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-methylpentan-2-amine
CID 115332363
N-methyl-1-[1-[(2-methylphenyl)methyl]pyrrol-3-yl]butan-1-amine
CID 79109106
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propylhexan-2-amine
CID 105023692
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N-propylpentan-1-amine
CID 113289314
1-(4-fluoro-3-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 115333502
1-(3-chloro-4-methylphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 105023768
N-methyl-1-[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]butan-1-amine
CID 79109904

Frequently Asked Questions

What is the IUPAC name of 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]-N-methylbutan-1-amine?
The IUPAC name of 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]-N-methylbutan-1-amine (CID 115332701) is 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]-N-methylbutan-1-amine.
What is the SMILES notation for 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]-N-methylbutan-1-amine?
The canonical SMILES for 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]-N-methylbutan-1-amine is CCCC(NC)c1ccn(Cc2cn3ccsc3n2)c1.
What is the InChIKey of 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]-N-methylbutan-1-amine?
The InChIKey is MQYVIXLMHYGBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-3-4-14(16-2)12-5-6-18(9-12)10-13-11-19-7-8-20-15(19)17-13/h5-9,11,14,16H,3-4,10H2,1-2H3.
What are the key properties of 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]-N-methylbutan-1-amine?
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]-N-methylbutan-1-amine has a molecular weight of 288.42 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]-N-methylbutan-1-amine is sourced from PubChem (CID 115332701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).