N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine

C15H25N5S — CID 63897213

IUPACN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
SMILESCc1cn2c(CNCC3CN(C)CCN3C)c(C)nc2s1
InChIInChI=1S/C15H25N5S/c1-11-9-20-14(12(2)17-15(20)21-11)8-16-7-13-10-18(3)5-6-19(13)4/h9,13,16H,5-8,10H2,1-4H3
InChIKeyKACAGUUVVQZZKP-UHFFFAOYSA-N
MW307.47 g/mol
LogP1.35
Rot. Bonds4

About N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine

N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine (PubChem CID 63897213) has the molecular formula C15H25N5S and a molecular weight of 307.47 g/mol. Its IUPAC name is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
PubChem CID63897213
Molecular FormulaC15H25N5S
Molecular Weight307.47 g/mol
Exact Mass307.18
IUPAC NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
SMILESCc1cn2c(CNCC3CN(C)CCN3C)c(C)nc2s1
InChIInChI=1S/C15H25N5S/c1-11-9-20-14(12(2)17-15(20)21-11)8-16-7-13-10-18(3)5-6-19(13)4/h9,13,16H,5-8,10H2,1-4H3
InChIKeyKACAGUUVVQZZKP-UHFFFAOYSA-N
XLogP1.35
TPSA35.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.47
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine?
The IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine (CID 63897213) is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine.
What is the SMILES notation for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine?
The canonical SMILES for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine is Cc1cn2c(CNCC3CN(C)CCN3C)c(C)nc2s1.
What is the InChIKey of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine?
The InChIKey is KACAGUUVVQZZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5S/c1-11-9-20-14(12(2)17-15(20)21-11)8-16-7-13-10-18(3)5-6-19(13)4/h9,13,16H,5-8,10H2,1-4H3.
What are the key properties of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine?
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine has a molecular weight of 307.47 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine is sourced from PubChem (CID 63897213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).