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

C13H18N4S2 — CID 53272736

IUPAC4-methyl-N-[(5-thiophen-3-yl-1,3-thiazol-2-yl)methyl]piperazin-1-amine
SMILESCN1CCN(NCc2ncc(-c3ccsc3)s2)CC1
InChIInChI=1S/C13H18N4S2/c1-16-3-5-17(6-4-16)15-9-13-14-8-12(19-13)11-2-7-18-10-11/h2,7-8,10,15H,3-6,9H2,1H3
InChIKeyNDWKDGUWCGRFMH-UHFFFAOYSA-N
MW294.45 g/mol
LogP2.12
Rot. Bonds4

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

4-methyl-N-[(5-thiophen-3-yl-1,3-thiazol-2-yl)methyl]piperazin-1-amine (PubChem CID 53272736) has the molecular formula C13H18N4S2 and a molecular weight of 294.45 g/mol. Its IUPAC name is 4-methyl-N-[(5-thiophen-3-yl-1,3-thiazol-2-yl)methyl]piperazin-1-amine.

Molecular Properties

Compound Name4-methyl-N-[(5-thiophen-3-yl-1,3-thiazol-2-yl)methyl]piperazin-1-amine
PubChem CID53272736
Molecular FormulaC13H18N4S2
Molecular Weight294.45 g/mol
Exact Mass294.10
IUPAC Name4-methyl-N-[(5-thiophen-3-yl-1,3-thiazol-2-yl)methyl]piperazin-1-amine
SMILESCN1CCN(NCc2ncc(-c3ccsc3)s2)CC1
InChIInChI=1S/C13H18N4S2/c1-16-3-5-17(6-4-16)15-9-13-14-8-12(19-13)11-2-7-18-10-11/h2,7-8,10,15H,3-6,9H2,1H3
InChIKeyNDWKDGUWCGRFMH-UHFFFAOYSA-N
XLogP2.12
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.45
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 53272261
CID 53272261
CID 53272262
CID 53272262
CID 53272282
CID 53272282
CID 53272283
CID 53272283
CID 53273469
CID 53273469
CID 53273492
CID 53273492
CID 53273515
CID 53273515
CID 53271583
CID 53271583
CID 53271584
CID 53271584
CID 53271594
CID 53271594
CID 53272532
CID 53272532
CID 53272533
CID 53272533

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5-thiophen-3-yl-1,3-thiazol-2-yl)methyl]piperazin-1-amine?
The IUPAC name of 4-methyl-N-[(5-thiophen-3-yl-1,3-thiazol-2-yl)methyl]piperazin-1-amine (CID 53272736) is 4-methyl-N-[(5-thiophen-3-yl-1,3-thiazol-2-yl)methyl]piperazin-1-amine.
What is the SMILES notation for 4-methyl-N-[(5-thiophen-3-yl-1,3-thiazol-2-yl)methyl]piperazin-1-amine?
The canonical SMILES for 4-methyl-N-[(5-thiophen-3-yl-1,3-thiazol-2-yl)methyl]piperazin-1-amine is CN1CCN(NCc2ncc(-c3ccsc3)s2)CC1.
What is the InChIKey of 4-methyl-N-[(5-thiophen-3-yl-1,3-thiazol-2-yl)methyl]piperazin-1-amine?
The InChIKey is NDWKDGUWCGRFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S2/c1-16-3-5-17(6-4-16)15-9-13-14-8-12(19-13)11-2-7-18-10-11/h2,7-8,10,15H,3-6,9H2,1H3.
What are the key properties of 4-methyl-N-[(5-thiophen-3-yl-1,3-thiazol-2-yl)methyl]piperazin-1-amine?
4-methyl-N-[(5-thiophen-3-yl-1,3-thiazol-2-yl)methyl]piperazin-1-amine has a molecular weight of 294.45 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5-thiophen-3-yl-1,3-thiazol-2-yl)methyl]piperazin-1-amine is sourced from PubChem (CID 53272736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).