N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine

C15H27N3S — CID 54883565

IUPACN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCc1ncc(CNCC(C(C)C)N2CCCC2)s1
InChIInChI=1S/C15H27N3S/c1-4-15-17-10-13(19-15)9-16-11-14(12(2)3)18-7-5-6-8-18/h10,12,14,16H,4-9,11H2,1-3H3
InChIKeyJHPDLJLIBPUUFD-UHFFFAOYSA-N
MW281.47 g/mol
LogP2.92
Rot. Bonds7

About N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine (PubChem CID 54883565) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
PubChem CID54883565
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCc1ncc(CNCC(C(C)C)N2CCCC2)s1
InChIInChI=1S/C15H27N3S/c1-4-15-17-10-13(19-15)9-16-11-14(12(2)3)18-7-5-6-8-18/h10,12,14,16H,4-9,11H2,1-3H3
InChIKeyJHPDLJLIBPUUFD-UHFFFAOYSA-N
XLogP2.92
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine
CID 111534806
3-methyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 61171195
2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-N-propan-2-ylacetamide
CID 60981941
3-methyl-N-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-1-ylbutan-1-amine
CID 63001465
1-ethyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111532902
1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103741081
3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 115684309
2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-N-(2-methylpropyl)acetamide
CID 112697710
N-ethyl-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43207839
2-cyclopentyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 60983544
N-[[2-(diethylaminomethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 82424642
N-[(3-bromothiophen-2-yl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 115379843

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine (CID 54883565) is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine is CCc1ncc(CNCC(C(C)C)N2CCCC2)s1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is JHPDLJLIBPUUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-4-15-17-10-13(19-15)9-16-11-14(12(2)3)18-7-5-6-8-18/h10,12,14,16H,4-9,11H2,1-3H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine?
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 281.47 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 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]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 54883565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).