N'-[(2-ethyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine

C10H19N3S — CID 60982775

IUPACN'-[(2-ethyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine
SMILESCCc1ncc(CNCCCCN)s1
InChIInChI=1S/C10H19N3S/c1-2-10-13-8-9(14-10)7-12-6-4-3-5-11/h8,12H,2-7,11H2,1H3
InChIKeyOWIBUVIPJPVIDY-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.53
Rot. Bonds7

About N'-[(2-ethyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine

N'-[(2-ethyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine (PubChem CID 60982775) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is N'-[(2-ethyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[(2-ethyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine
PubChem CID60982775
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC NameN'-[(2-ethyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine
SMILESCCc1ncc(CNCCCCN)s1
InChIInChI=1S/C10H19N3S/c1-2-10-13-8-9(14-10)7-12-6-4-3-5-11/h8,12H,2-7,11H2,1H3
InChIKeyOWIBUVIPJPVIDY-UHFFFAOYSA-N
XLogP1.53
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.53
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
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 60982755
2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 60982756
5-[(2-ethyl-1,3-thiazol-5-yl)methylamino]pentan-2-ol
CID 107267939
2-(2-ethyl-1,3-thiazol-5-yl)ethanamine
CID 83682105
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 54883757
2-ethylsulfonyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115684331
1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103741081
2-cyclopentyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 60983544
2-tert-butylsulfanyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115684335
4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2,2-dimethylbutanoic acid
CID 122127045
methyl 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]propanoate
CID 60982151

Frequently Asked Questions

What is the IUPAC name of N'-[(2-ethyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine?
The IUPAC name of N'-[(2-ethyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine (CID 60982775) is N'-[(2-ethyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine.
What is the SMILES notation for N'-[(2-ethyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine?
The canonical SMILES for N'-[(2-ethyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine is CCc1ncc(CNCCCCN)s1.
What is the InChIKey of N'-[(2-ethyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine?
The InChIKey is OWIBUVIPJPVIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-2-10-13-8-9(14-10)7-12-6-4-3-5-11/h8,12H,2-7,11H2,1H3.
What are the key properties of N'-[(2-ethyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine?
N'-[(2-ethyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine has a molecular weight of 213.35 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-ethyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine is sourced from PubChem (CID 60982775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).