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

C13H24N4S — CID 79395878

IUPACN-methyl-1-[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
SMILESCNCc1sc(N2CCN(C)CC2)nc1C(C)C
InChIInChI=1S/C13H24N4S/c1-10(2)12-11(9-14-3)18-13(15-12)17-7-5-16(4)6-8-17/h10,14H,5-9H2,1-4H3
InChIKeyRIIUNKISPULTIG-UHFFFAOYSA-N
MW268.43 g/mol
LogP1.74
Rot. Bonds4

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

N-methyl-1-[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine (PubChem CID 79395878) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is N-methyl-1-[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
PubChem CID79395878
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC NameN-methyl-1-[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
SMILESCNCc1sc(N2CCN(C)CC2)nc1C(C)C
InChIInChI=1S/C13H24N4S/c1-10(2)12-11(9-14-3)18-13(15-12)17-7-5-16(4)6-8-17/h10,14H,5-9H2,1-4H3
InChIKeyRIIUNKISPULTIG-UHFFFAOYSA-N
XLogP1.74
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 79381520
N-[[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 79396238
N-methyl-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 82435477
1-[4-cyclopropyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 63917328
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 115562464
1-[2-(3-methoxy-4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 102968508
2-[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol
CID 82435668
N-[[2-(4-cyclopropylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 79380919
N-[[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82427941
N-[(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82435595
N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 79382475
N-[[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62766344

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine (CID 79395878) is N-methyl-1-[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine is CNCc1sc(N2CCN(C)CC2)nc1C(C)C.
What is the InChIKey of N-methyl-1-[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The InChIKey is RIIUNKISPULTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-10(2)12-11(9-14-3)18-13(15-12)17-7-5-16(4)6-8-17/h10,14H,5-9H2,1-4H3.
What are the key properties of N-methyl-1-[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
N-methyl-1-[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine has a molecular weight of 268.43 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 79395878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).