2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine

C15H27N3S — CID 106605484

IUPAC2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCc1nc(C(C)N(CC(C)C)CC2CCCN2)cs1
InChIInChI=1S/C15H27N3S/c1-11(2)8-18(9-14-6-5-7-16-14)12(3)15-10-19-13(4)17-15/h10-12,14,16H,5-9H2,1-4H3
InChIKeyUOXRQEIJBSRRNJ-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.22
Rot. Bonds6

About 2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine

2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine (PubChem CID 106605484) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
PubChem CID106605484
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCc1nc(C(C)N(CC(C)C)CC2CCCN2)cs1
InChIInChI=1S/C15H27N3S/c1-11(2)8-18(9-14-6-5-7-16-14)12(3)15-10-19-13(4)17-15/h10-12,14,16H,5-9H2,1-4H3
InChIKeyUOXRQEIJBSRRNJ-UHFFFAOYSA-N
XLogP3.22
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604864
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622163
N-[1-(4-chlorophenyl)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605425
N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605605
N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605238
2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 106605144
N-(2-methylpropyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]pentan-3-amine
CID 104870302
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104973966
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603593
2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605468
2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pentan-3-amine
CID 106605357
2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 61378673

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine (CID 106605484) is 2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine is Cc1nc(C(C)N(CC(C)C)CC2CCCN2)cs1.
What is the InChIKey of 2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The InChIKey is UOXRQEIJBSRRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-11(2)8-18(9-14-6-5-7-16-14)12(3)15-10-19-13(4)17-15/h10-12,14,16H,5-9H2,1-4H3.
What are the key properties of 2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine has a molecular weight of 281.47 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106605484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).