(2S)-2-(4-methylpiperazin-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylethanamine

C19H24N6S2 — CID 52511205

IUPAC(2S)-2-(4-methylpiperazin-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylethanamine
SMILESCN1CCN([C@@H](CNCc2csc(-c3ncccn3)n2)c2cccs2)CC1
InChIInChI=1S/C19H24N6S2/c1-24-7-9-25(10-8-24)16(17-4-2-11-26-17)13-20-12-15-14-27-19(23-15)18-21-5-3-6-22-18/h2-6,11,14,16,20H,7-10,12-13H2,1H3/t16-/m0/s1
InChIKeyMOHQGDXVYGLQBX-INIZCTEOSA-N
MW400.58 g/mol
LogP2.74
Rot. Bonds7

About (2S)-2-(4-methylpiperazin-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylethanamine

(2S)-2-(4-methylpiperazin-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylethanamine (PubChem CID 52511205) has the molecular formula C19H24N6S2 and a molecular weight of 400.58 g/mol. Its IUPAC name is (2S)-2-(4-methylpiperazin-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(2S)-2-(4-methylpiperazin-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylethanamine
PubChem CID52511205
Molecular FormulaC19H24N6S2
Molecular Weight400.58 g/mol
Exact Mass400.15
IUPAC Name(2S)-2-(4-methylpiperazin-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylethanamine
SMILESCN1CCN([C@@H](CNCc2csc(-c3ncccn3)n2)c2cccs2)CC1
InChIInChI=1S/C19H24N6S2/c1-24-7-9-25(10-8-24)16(17-4-2-11-26-17)13-20-12-15-14-27-19(23-15)18-21-5-3-6-22-18/h2-6,11,14,16,20H,7-10,12-13H2,1H3/t16-/m0/s1
InChIKeyMOHQGDXVYGLQBX-INIZCTEOSA-N
XLogP2.74
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.58
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

(2S)-2-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 52510560
(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanamine
CID 7127651
3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 52521593
3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 100841780
2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 51265432
N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2,2-diphenylacetamide
CID 8798410
4-(chloromethyl)-2-pyrimidin-2-yl-1,3-thiazole
CID 43622191
2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 110622459
5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]pyrazine-2-carboxamide
CID 47007671
1-benzyl-3-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]thiourea
CID 30726004
3-methyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]butan-2-ol
CID 111421916
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 110622460

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methylpiperazin-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylethanamine?
The IUPAC name of (2S)-2-(4-methylpiperazin-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylethanamine (CID 52511205) is (2S)-2-(4-methylpiperazin-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for (2S)-2-(4-methylpiperazin-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for (2S)-2-(4-methylpiperazin-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylethanamine is CN1CCN([C@@H](CNCc2csc(-c3ncccn3)n2)c2cccs2)CC1.
What is the InChIKey of (2S)-2-(4-methylpiperazin-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylethanamine?
The InChIKey is MOHQGDXVYGLQBX-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N6S2/c1-24-7-9-25(10-8-24)16(17-4-2-11-26-17)13-20-12-15-14-27-19(23-15)18-21-5-3-6-22-18/h2-6,11,14,16,20H,7-10,12-13H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-2-(4-methylpiperazin-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylethanamine?
(2S)-2-(4-methylpiperazin-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylethanamine has a molecular weight of 400.58 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methylpiperazin-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 52511205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).