1-N,1-N-diethyl-4-imidazo[2,1-b][1,3]thiazol-6-ylbutane-1,3-diamine

C13H22N4S — CID 115333851

IUPAC1-N,1-N-diethyl-4-imidazo[2,1-b][1,3]thiazol-6-ylbutane-1,3-diamine
SMILESCCN(CC)CCC(N)Cc1cn2ccsc2n1
InChIInChI=1S/C13H22N4S/c1-3-16(4-2)6-5-11(14)9-12-10-17-7-8-18-13(17)15-12/h7-8,10-11H,3-6,9,14H2,1-2H3
InChIKeyGGWDVJQSYFXWJP-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.00
Rot. Bonds7

About 1-N,1-N-diethyl-4-imidazo[2,1-b][1,3]thiazol-6-ylbutane-1,3-diamine

1-N,1-N-diethyl-4-imidazo[2,1-b][1,3]thiazol-6-ylbutane-1,3-diamine (PubChem CID 115333851) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-imidazo[2,1-b][1,3]thiazol-6-ylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-imidazo[2,1-b][1,3]thiazol-6-ylbutane-1,3-diamine
PubChem CID115333851
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name1-N,1-N-diethyl-4-imidazo[2,1-b][1,3]thiazol-6-ylbutane-1,3-diamine
SMILESCCN(CC)CCC(N)Cc1cn2ccsc2n1
InChIInChI=1S/C13H22N4S/c1-3-16(4-2)6-5-11(14)9-12-10-17-7-8-18-13(17)15-12/h7-8,10-11H,3-6,9,14H2,1-2H3
InChIKeyGGWDVJQSYFXWJP-UHFFFAOYSA-N
XLogP2.00
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methoxybutan-2-amine
CID 115333521
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylpentan-2-amine
CID 115333412
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propylhexan-2-amine
CID 105023692
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-ylsulfanylpropan-2-amine
CID 115333704
6-(3-bromo-2-methylpropyl)imidazo[2,1-b][1,3]thiazole
CID 115335190
6-[3-bromo-2-(bromomethyl)propyl]imidazo[2,1-b][1,3]thiazole
CID 115335272
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-3-methylsulfonylbutan-2-amine
CID 105023582
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(1-methylimidazol-4-yl)ethanamine
CID 107976895
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-pyrimidin-2-ylethanamine
CID 115333425
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-propan-2-ylphenyl)ethanamine
CID 115333398
1-(1-ethoxycyclopentyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 116761822
1-(2-ethyl-5-methylpyrazol-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105174148

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-imidazo[2,1-b][1,3]thiazol-6-ylbutane-1,3-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-imidazo[2,1-b][1,3]thiazol-6-ylbutane-1,3-diamine (CID 115333851) is 1-N,1-N-diethyl-4-imidazo[2,1-b][1,3]thiazol-6-ylbutane-1,3-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-imidazo[2,1-b][1,3]thiazol-6-ylbutane-1,3-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-imidazo[2,1-b][1,3]thiazol-6-ylbutane-1,3-diamine is CCN(CC)CCC(N)Cc1cn2ccsc2n1.
What is the InChIKey of 1-N,1-N-diethyl-4-imidazo[2,1-b][1,3]thiazol-6-ylbutane-1,3-diamine?
The InChIKey is GGWDVJQSYFXWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-3-16(4-2)6-5-11(14)9-12-10-17-7-8-18-13(17)15-12/h7-8,10-11H,3-6,9,14H2,1-2H3.
What are the key properties of 1-N,1-N-diethyl-4-imidazo[2,1-b][1,3]thiazol-6-ylbutane-1,3-diamine?
1-N,1-N-diethyl-4-imidazo[2,1-b][1,3]thiazol-6-ylbutane-1,3-diamine has a molecular weight of 266.41 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-imidazo[2,1-b][1,3]thiazol-6-ylbutane-1,3-diamine is sourced from PubChem (CID 115333851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).