N-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine

C12H19ClN4S — CID 82364469

IUPACN-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCc1csc2nc(Cl)c(CNCCCN(C)C)n12
InChIInChI=1S/C12H19ClN4S/c1-9-8-18-12-15-11(13)10(17(9)12)7-14-5-4-6-16(2)3/h8,14H,4-7H2,1-3H3
InChIKeyIYFVRRFMOOJUAE-UHFFFAOYSA-N
MW286.83 g/mol
LogP2.40
Rot. Bonds6

About N-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine

N-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 82364469) has the molecular formula C12H19ClN4S and a molecular weight of 286.83 g/mol. Its IUPAC name is N-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID82364469
Molecular FormulaC12H19ClN4S
Molecular Weight286.83 g/mol
Exact Mass286.10
IUPAC NameN-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCc1csc2nc(Cl)c(CNCCCN(C)C)n12
InChIInChI=1S/C12H19ClN4S/c1-9-8-18-12-15-11(13)10(17(9)12)7-14-5-4-6-16(2)3/h8,14H,4-7H2,1-3H3
InChIKeyIYFVRRFMOOJUAE-UHFFFAOYSA-N
XLogP2.40
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine (CID 82364469) is N-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine is Cc1csc2nc(Cl)c(CNCCCN(C)C)n12.
What is the InChIKey of N-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is IYFVRRFMOOJUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4S/c1-9-8-18-12-15-11(13)10(17(9)12)7-14-5-4-6-16(2)3/h8,14H,4-7H2,1-3H3.
What are the key properties of N-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine?
N-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 286.83 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 82364469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).