N-[[4-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine

C14H26N4S — CID 62766055

IUPACN-[[4-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCCN1CCN(c2nc(C)c(CNCC)s2)CC1
InChIInChI=1S/C14H26N4S/c1-4-6-17-7-9-18(10-8-17)14-16-12(3)13(19-14)11-15-5-2/h15H,4-11H2,1-3H3
InChIKeyCDETUJGYSTVZAI-UHFFFAOYSA-N
MW282.46 g/mol
LogP2.09
Rot. Bonds6

About N-[[4-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine

N-[[4-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 62766055) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is N-[[4-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID62766055
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC NameN-[[4-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCCN1CCN(c2nc(C)c(CNCC)s2)CC1
InChIInChI=1S/C14H26N4S/c1-4-6-17-7-9-18(10-8-17)14-16-12(3)13(19-14)11-15-5-2/h15H,4-11H2,1-3H3
InChIKeyCDETUJGYSTVZAI-UHFFFAOYSA-N
XLogP2.09
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[4-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62766220
N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]ethanamine
CID 46785724
N-[[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82427959
N-[[2-(4-ethylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 62764109
N-[[2-(azocan-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 55117264
N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 55215655
1-[5-(ethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63518353
N-methyl-1-[4-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 62752070
N-[[2-(azepan-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 55112709
N-methyl-1-[4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine
CID 62970042
N-[[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82427941
N-[[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62766342

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 62766055) is N-[[4-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine is CCCN1CCN(c2nc(C)c(CNCC)s2)CC1.
What is the InChIKey of N-[[4-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is CDETUJGYSTVZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-4-6-17-7-9-18(10-8-17)14-16-12(3)13(19-14)11-15-5-2/h15H,4-11H2,1-3H3.
What are the key properties of N-[[4-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[4-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 282.46 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 62766055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).