1-[4-[(4-tert-butylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine

C14H26N4S — CID 62462682

IUPAC1-[4-[(4-tert-butylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nc(CN2CCN(C(C)(C)C)CC2)cs1
InChIInChI=1S/C14H26N4S/c1-14(2,3)18-7-5-17(6-8-18)10-12-11-19-13(16-12)9-15-4/h11,15H,5-10H2,1-4H3
InChIKeyOOSOMURYDVMMBG-UHFFFAOYSA-N
MW282.46 g/mol
LogP1.78
Rot. Bonds4

About 1-[4-[(4-tert-butylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine

1-[4-[(4-tert-butylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine (PubChem CID 62462682) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is 1-[4-[(4-tert-butylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(4-tert-butylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
PubChem CID62462682
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC Name1-[4-[(4-tert-butylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nc(CN2CCN(C(C)(C)C)CC2)cs1
InChIInChI=1S/C14H26N4S/c1-14(2,3)18-7-5-17(6-8-18)10-12-11-19-13(16-12)9-15-4/h11,15H,5-10H2,1-4H3
InChIKeyOOSOMURYDVMMBG-UHFFFAOYSA-N
XLogP1.78
TPSA31.40 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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62437368
N-methyl-1-[4-[(4-methylazepan-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
CID 63626664
1-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 63024819
1-[4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 55074045
N,N-diethyl-1-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-amine
CID 63166798
2-[2-(4-tert-butylpiperazin-1-yl)ethyl]-4-(chloromethyl)-1,3-thiazole
CID 61433252
N-[[4-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62411427
N-[[4-(azocan-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62417685
2,2-dimethyl-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propanamide
CID 110368584
1-[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 63193091
N-[[4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 79183672
N-[[4-[(4-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62439128

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-tert-butylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(4-tert-butylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine (CID 62462682) is 1-[4-[(4-tert-butylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(4-tert-butylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(4-tert-butylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine is CNCc1nc(CN2CCN(C(C)(C)C)CC2)cs1.
What is the InChIKey of 1-[4-[(4-tert-butylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine?
The InChIKey is OOSOMURYDVMMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-14(2,3)18-7-5-17(6-8-18)10-12-11-19-13(16-12)9-15-4/h11,15H,5-10H2,1-4H3.
What are the key properties of 1-[4-[(4-tert-butylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine?
1-[4-[(4-tert-butylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine has a molecular weight of 282.46 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-tert-butylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 62462682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).