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

C17H24N4OS — CID 16677074

IUPACN,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethane-1,2-diamine
SMILESCc1ccc(CN(CCN(C)C)Cc2c(C)nc3sccn23)o1
InChIInChI=1S/C17H24N4OS/c1-13-5-6-15(22-13)11-20(8-7-19(3)4)12-16-14(2)18-17-21(16)9-10-23-17/h5-6,9-10H,7-8,11-12H2,1-4H3
InChIKeyPKNMFMVAMPIFCR-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.17
Rot. Bonds7

About 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

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 (PubChem CID 16677074) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethane-1,2-diamine
PubChem CID16677074
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC NameN,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethane-1,2-diamine
SMILESCc1ccc(CN(CCN(C)C)Cc2c(C)nc3sccn23)o1
InChIInChI=1S/C17H24N4OS/c1-13-5-6-15(22-13)11-20(8-7-19(3)4)12-16-14(2)18-17-21(16)9-10-23-17/h5-6,9-10H,7-8,11-12H2,1-4H3
InChIKeyPKNMFMVAMPIFCR-UHFFFAOYSA-N
XLogP3.17
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-((1-(furan-2-ylmethyl)-1H-imidazol-2-yl)thio)-N-(4-methylthiazol-2-yl)acetamide
CID 7151137
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-[(5-ethylfuran-2-yl)methyl]-3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 16676844
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
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
N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 71856428
N-(furan-2-ylmethyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(oxolan-2-ylmethyl)acetamide
CID 71937392

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(CN(CCN(C)C)Cc2c(C)nc3sccn23)o1.
What is the InChIKey of 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?
The InChIKey is PKNMFMVAMPIFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-13-5-6-15(22-13)11-20(8-7-19(3)4)12-16-14(2)18-17-21(16)9-10-23-17/h5-6,9-10H,7-8,11-12H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 332.47 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 16677074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).