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

C14H18N4S — CID 115334464

IUPAC1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]butan-2-amine
SMILESCCC(N)Cc1ccn(Cc2cn3ccsc3n2)c1
InChIInChI=1S/C14H18N4S/c1-2-12(15)7-11-3-4-17(8-11)9-13-10-18-5-6-19-14(18)16-13/h3-6,8,10,12H,2,7,9,15H2,1H3
InChIKeyYBYLLDSSAJJTGF-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.53
Rot. Bonds5

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

1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]butan-2-amine (PubChem CID 115334464) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]butan-2-amine
PubChem CID115334464
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]butan-2-amine
SMILESCCC(N)Cc1ccn(Cc2cn3ccsc3n2)c1
InChIInChI=1S/C14H18N4S/c1-2-12(15)7-11-3-4-17(8-11)9-13-10-18-5-6-19-14(18)16-13/h3-6,8,10,12H,2,7,9,15H2,1H3
InChIKeyYBYLLDSSAJJTGF-UHFFFAOYSA-N
XLogP2.53
TPSA48.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-4-methylpentan-2-amine
CID 115333412
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]-N-methylbutan-1-amine
CID 115332701
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propylhexan-2-amine
CID 105023692
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-2-yl]propan-2-amine
CID 115334462
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanylpropan-2-amine
CID 115333704
1-N,1-N-diethyl-4-imidazo[2,1-b][1,3]thiazol-6-ylbutane-1,3-diamine
CID 115333851
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methoxybutan-2-amine
CID 115333521
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-propan-2-ylphenyl)ethanamine
CID 115333398
1-[1-(naphthalen-1-ylmethyl)pyrrol-3-yl]butan-2-amine
CID 66397584
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pentan-3-amine
CID 78925544
6-(3-chloro-2-methylpentyl)imidazo[2,1-b][1,3]thiazole
CID 115334174

Frequently Asked Questions

What is the IUPAC name of 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]butan-2-amine?
The IUPAC name of 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]butan-2-amine (CID 115334464) is 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]butan-2-amine.
What is the SMILES notation for 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]butan-2-amine?
The canonical SMILES for 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]butan-2-amine is CCC(N)Cc1ccn(Cc2cn3ccsc3n2)c1.
What is the InChIKey of 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]butan-2-amine?
The InChIKey is YBYLLDSSAJJTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-2-12(15)7-11-3-4-17(8-11)9-13-10-18-5-6-19-14(18)16-13/h3-6,8,10,12H,2,7,9,15H2,1H3.
What are the key properties of 1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]butan-2-amine?
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrol-3-yl]butan-2-amine has a molecular weight of 274.39 g/mol, XLogP of 2.53, 5 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]butan-2-amine is sourced from PubChem (CID 115334464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).