N-[[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]butan-2-amine

C14H26N4S — CID 82427941

IUPACN-[[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]butan-2-amine
SMILESCCC(C)NCc1sc(N2CCN(C)CC2)nc1C
InChIInChI=1S/C14H26N4S/c1-5-11(2)15-10-13-12(3)16-14(19-13)18-8-6-17(4)7-9-18/h11,15H,5-10H2,1-4H3
InChIKeyHCPIBRGBGBNPDO-UHFFFAOYSA-N
MW282.46 g/mol
LogP2.09
Rot. Bonds5

About N-[[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]butan-2-amine

N-[[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]butan-2-amine (PubChem CID 82427941) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is N-[[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]butan-2-amine.

Molecular Properties

Compound NameN-[[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]butan-2-amine
PubChem CID82427941
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC NameN-[[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]butan-2-amine
SMILESCCC(C)NCc1sc(N2CCN(C)CC2)nc1C
InChIInChI=1S/C14H26N4S/c1-5-11(2)15-10-13-12(3)16-14(19-13)18-8-6-17(4)7-9-18/h11,15H,5-10H2,1-4H3
InChIKeyHCPIBRGBGBNPDO-UHFFFAOYSA-N
XLogP2.09
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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

N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 103503686
2-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 82129972
N-[[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62766344
2-methyl-N-[[4-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62766220
N-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62780311
N-[(4-cyclopropyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 82438000
N-methyl-1-[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 79395878
N-[[4-methyl-2-(3,4,5-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114540531
N-[[4-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62766055
N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]ethanamine
CID 46785724
N-[[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62767636
1-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 62751339

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]butan-2-amine?
The IUPAC name of N-[[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]butan-2-amine (CID 82427941) is N-[[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]butan-2-amine.
What is the SMILES notation for N-[[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]butan-2-amine?
The canonical SMILES for N-[[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]butan-2-amine is CCC(C)NCc1sc(N2CCN(C)CC2)nc1C.
What is the InChIKey of N-[[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]butan-2-amine?
The InChIKey is HCPIBRGBGBNPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-5-11(2)15-10-13-12(3)16-14(19-13)18-8-6-17(4)7-9-18/h11,15H,5-10H2,1-4H3.
What are the key properties of N-[[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]butan-2-amine?
N-[[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]butan-2-amine has a molecular weight of 282.46 g/mol, XLogP of 2.09, 5 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-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]butan-2-amine is sourced from PubChem (CID 82427941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).