1-(1,4-dimethylpiperazin-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine

C11H20N4S — CID 63899142

IUPAC1-(1,4-dimethylpiperazin-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
SMILESCN1CCN(C)C(CNCc2cncs2)C1
InChIInChI=1S/C11H20N4S/c1-14-3-4-15(2)10(8-14)5-12-6-11-7-13-9-16-11/h7,9-10,12H,3-6,8H2,1-2H3
InChIKeyMKPCBDVRYPYWPZ-UHFFFAOYSA-N
MW240.38 g/mol
LogP0.48
Rot. Bonds4

About 1-(1,4-dimethylpiperazin-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine

1-(1,4-dimethylpiperazin-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine (PubChem CID 63899142) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
PubChem CID63899142
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
SMILESCN1CCN(C)C(CNCc2cncs2)C1
InChIInChI=1S/C11H20N4S/c1-14-3-4-15(2)10(8-14)5-12-6-11-7-13-9-16-11/h7,9-10,12H,3-6,8H2,1-2H3
InChIKeyMKPCBDVRYPYWPZ-UHFFFAOYSA-N
XLogP0.48
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,4-dimethylpiperazin-2-yl)-N-[(5-iodofuran-2-yl)methyl]methanamine
CID 63897992
1-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)methanamine;hydrochloride
CID 167715845
1-(1,4-dimethylpiperazin-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 63897981
1-(1,4-dimethylpiperazin-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine
CID 63898183
1-(1,4-dimethylpiperazin-2-yl)-N-(isoquinolin-4-ylmethyl)methanamine
CID 115748426
1-(1,4-dimethylpiperazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine
CID 63897056
N-[(4-bromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63897217
N-[(3,4-dichlorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63897594
1-(1,4-dimethylpiperazin-2-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine
CID 64541877
N-[(4-cyclopropylphenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 79984609
N-[(2,6-difluorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63897583
1-(1,4-dimethylpiperazin-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine
CID 114936760

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine (CID 63899142) is 1-(1,4-dimethylpiperazin-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine is CN1CCN(C)C(CNCc2cncs2)C1.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
The InChIKey is MKPCBDVRYPYWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-14-3-4-15(2)10(8-14)5-12-6-11-7-13-9-16-11/h7,9-10,12H,3-6,8H2,1-2H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
1-(1,4-dimethylpiperazin-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine has a molecular weight of 240.38 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine is sourced from PubChem (CID 63899142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).