1-[2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine

C14H26N4S — CID 82435350

IUPAC1-[2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine
SMILESCC(C)c1nc(CN2CCN(C)CC2)sc1C(C)N
InChIInChI=1S/C14H26N4S/c1-10(2)13-14(11(3)15)19-12(16-13)9-18-7-5-17(4)6-8-18/h10-11H,5-9,15H2,1-4H3
InChIKeyMYJKEMXAVQFYCB-UHFFFAOYSA-N
MW282.46 g/mol
LogP2.03
Rot. Bonds4

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

1-[2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine (PubChem CID 82435350) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is 1-[2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine
PubChem CID82435350
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC Name1-[2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine
SMILESCC(C)c1nc(CN2CCN(C)CC2)sc1C(C)N
InChIInChI=1S/C14H26N4S/c1-10(2)13-14(11(3)15)19-12(16-13)9-18-7-5-17(4)6-8-18/h10-11H,5-9,15H2,1-4H3
InChIKeyMYJKEMXAVQFYCB-UHFFFAOYSA-N
XLogP2.03
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 82435252
1-[4-propan-2-yl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanamine
CID 82435434
1-[2-[(2-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine
CID 82435273
1-[2-[2-(3-methylpiperidin-1-yl)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine
CID 82435460
1-[2-[(4-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]ethanamine
CID 82433019
N-methyl-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 82435477
N-[[4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82435229
1-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 66389792
1-[2-[(4-methoxyphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine
CID 82434313
1-[2-[2-(azepan-1-yl)ethyl]-4-ethyl-1,3-thiazol-5-yl]ethanamine
CID 82430846
[2-(morpholin-4-ylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol
CID 82435326
2-[(4-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole-5-carbonitrile
CID 82435296

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine (CID 82435350) is 1-[2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine is CC(C)c1nc(CN2CCN(C)CC2)sc1C(C)N.
What is the InChIKey of 1-[2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine?
The InChIKey is MYJKEMXAVQFYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-10(2)13-14(11(3)15)19-12(16-13)9-18-7-5-17(4)6-8-18/h10-11H,5-9,15H2,1-4H3.
What are the key properties of 1-[2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine?
1-[2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine has a molecular weight of 282.46 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 82435350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).