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

C18H25N5S — CID 46961942

IUPACN,N-dimethyl-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
SMILESCc1nc2sccn2c1CN(CCCN(C)C)Cc1ccccn1
InChIInChI=1S/C18H25N5S/c1-15-17(23-11-12-24-18(23)20-15)14-22(10-6-9-21(2)3)13-16-7-4-5-8-19-16/h4-5,7-8,11-12H,6,9-10,13-14H2,1-3H3
InChIKeyVHMWYVZJWOPQAI-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.05
Rot. Bonds8

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

N,N-dimethyl-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-(pyridin-2-ylmethyl)propane-1,3-diamine (PubChem CID 46961942) has the molecular formula C18H25N5S and a molecular weight of 343.50 g/mol. Its IUPAC name is N,N-dimethyl-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-(pyridin-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
PubChem CID46961942
Molecular FormulaC18H25N5S
Molecular Weight343.50 g/mol
Exact Mass343.18
IUPAC NameN,N-dimethyl-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
SMILESCc1nc2sccn2c1CN(CCCN(C)C)Cc1ccccn1
InChIInChI=1S/C18H25N5S/c1-15-17(23-11-12-24-18(23)20-15)14-22(10-6-9-21(2)3)13-16-7-4-5-8-19-16/h4-5,7-8,11-12H,6,9-10,13-14H2,1-3H3
InChIKeyVHMWYVZJWOPQAI-UHFFFAOYSA-N
XLogP3.05
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-(pyridin-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N,N-dimethyl-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-(pyridin-2-ylmethyl)propane-1,3-diamine (CID 46961942) is N,N-dimethyl-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-(pyridin-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N,N-dimethyl-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-(pyridin-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N,N-dimethyl-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-(pyridin-2-ylmethyl)propane-1,3-diamine is Cc1nc2sccn2c1CN(CCCN(C)C)Cc1ccccn1.
What is the InChIKey of N,N-dimethyl-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-(pyridin-2-ylmethyl)propane-1,3-diamine?
The InChIKey is VHMWYVZJWOPQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5S/c1-15-17(23-11-12-24-18(23)20-15)14-22(10-6-9-21(2)3)13-16-7-4-5-8-19-16/h4-5,7-8,11-12H,6,9-10,13-14H2,1-3H3.
What are the key properties of N,N-dimethyl-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-(pyridin-2-ylmethyl)propane-1,3-diamine?
N,N-dimethyl-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-(pyridin-2-ylmethyl)propane-1,3-diamine has a molecular weight of 343.50 g/mol, XLogP of 3.05, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-(pyridin-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 46961942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).