N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propane-1,3-diamine

C17H24N4OS — CID 16676945

IUPACN'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propane-1,3-diamine
SMILESCc1nc2sccn2c1CN(CCCN(C)C)Cc1ccco1
InChIInChI=1S/C17H24N4OS/c1-14-16(21-9-11-23-17(21)18-14)13-20(8-5-7-19(2)3)12-15-6-4-10-22-15/h4,6,9-11H,5,7-8,12-13H2,1-3H3
InChIKeyGUQPIHNZMSGDDL-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.25
Rot. Bonds8

About N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propane-1,3-diamine

N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propane-1,3-diamine (PubChem CID 16676945) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propane-1,3-diamine
PubChem CID16676945
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC NameN'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propane-1,3-diamine
SMILESCc1nc2sccn2c1CN(CCCN(C)C)Cc1ccco1
InChIInChI=1S/C17H24N4OS/c1-14-16(21-9-11-23-17(21)18-14)13-20(8-5-7-19(2)3)12-15-6-4-10-22-15/h4,6,9-11H,5,7-8,12-13H2,1-3H3
InChIKeyGUQPIHNZMSGDDL-UHFFFAOYSA-N
XLogP3.25
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-furanylmethyl)-4-(2-methyl-3-imidazo[1,2-a]pyridinyl)-2-thiazolamine
CID 697312
2-((1-(furan-2-ylmethyl)-1H-imidazol-2-yl)thio)-N-(4-methylthiazol-2-yl)acetamide
CID 7151137
2-(1-Furan-2-ylmethyl-5-phenyl-1H-imidazol-2-ylsulfanyl)-N-(5-methyl-thiazol-2-yl)-acetamide
CID 650898
4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
CID 697316
N-(2-furylmethyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
CID 2901742
3-(Imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one
CID 2998689
N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2-furamide
CID 3237333
N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethane-1,2-diamine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 118747288
N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethane-1,2-diamine
CID 16677074
1-[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]-N-methyl-N-[(5-methyl-2-furyl)methyl]methanamine
CID 42596474
4-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole
CID 53575443
2-(furan-2-yl)-4-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-1,3-thiazole
CID 53579400

Frequently Asked Questions

What is the IUPAC name of N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propane-1,3-diamine?
The IUPAC name of N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propane-1,3-diamine (CID 16676945) is N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propane-1,3-diamine is Cc1nc2sccn2c1CN(CCCN(C)C)Cc1ccco1.
What is the InChIKey of N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propane-1,3-diamine?
The InChIKey is GUQPIHNZMSGDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-14-16(21-9-11-23-17(21)18-14)13-20(8-5-7-19(2)3)12-15-6-4-10-22-15/h4,6,9-11H,5,7-8,12-13H2,1-3H3.
What are the key properties of N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propane-1,3-diamine?
N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propane-1,3-diamine has a molecular weight of 332.47 g/mol, XLogP of 3.25, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 16676945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).