2-methyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]pentane-1,5-diamine

C11H21N3S — CID 82682944

IUPAC2-methyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]pentane-1,5-diamine
SMILESCc1ncc(CNCCCC(C)CN)s1
InChIInChI=1S/C11H21N3S/c1-9(6-12)4-3-5-13-7-11-8-14-10(2)15-11/h8-9,13H,3-7,12H2,1-2H3
InChIKeyBUDIEIBQHODQEH-UHFFFAOYSA-N
MW227.38 g/mol
LogP1.92
Rot. Bonds7

About 2-methyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]pentane-1,5-diamine

2-methyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]pentane-1,5-diamine (PubChem CID 82682944) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 2-methyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]pentane-1,5-diamine.

Molecular Properties

Compound Name2-methyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]pentane-1,5-diamine
PubChem CID82682944
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name2-methyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]pentane-1,5-diamine
SMILESCc1ncc(CNCCCC(C)CN)s1
InChIInChI=1S/C11H21N3S/c1-9(6-12)4-3-5-13-7-11-8-14-10(2)15-11/h8-9,13H,3-7,12H2,1-2H3
InChIKeyBUDIEIBQHODQEH-UHFFFAOYSA-N
XLogP1.92
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[(2-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine
CID 60937078
3-methylsulfonyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 61019602
3-methyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butane-1,3-diamine
CID 64677698
3-cyclopropyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 115639558
2-methyl-N'-[(4-methylthiophen-3-yl)methyl]pentane-1,5-diamine
CID 82682846
N-[(2-methyl-1,3-thiazol-5-yl)methyl]hex-5-yn-1-amine
CID 115694172
2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propane-1,2-diamine
CID 61042812
ethyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate
CID 64579885
(2S)-1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 93367091
1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 60941890
3-(3,5-dimethylpyrazol-1-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 115582616
2-[1-(aminomethyl)cyclobutyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81170467

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]pentane-1,5-diamine?
The IUPAC name of 2-methyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]pentane-1,5-diamine (CID 82682944) is 2-methyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]pentane-1,5-diamine.
What is the SMILES notation for 2-methyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]pentane-1,5-diamine?
The canonical SMILES for 2-methyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]pentane-1,5-diamine is Cc1ncc(CNCCCC(C)CN)s1.
What is the InChIKey of 2-methyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]pentane-1,5-diamine?
The InChIKey is BUDIEIBQHODQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-9(6-12)4-3-5-13-7-11-8-14-10(2)15-11/h8-9,13H,3-7,12H2,1-2H3.
What are the key properties of 2-methyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]pentane-1,5-diamine?
2-methyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]pentane-1,5-diamine has a molecular weight of 227.38 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]pentane-1,5-diamine is sourced from PubChem (CID 82682944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).