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

C15H27N3OS — CID 106617504

IUPAC2-methoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCOCCN(Cc1csc(C(C)C)n1)CC1CCCN1
InChIInChI=1S/C15H27N3OS/c1-12(2)15-17-14(11-20-15)10-18(7-8-19-3)9-13-5-4-6-16-13/h11-13,16H,4-10H2,1-3H3
InChIKeyTVMQXIJVQVRJJR-UHFFFAOYSA-N
MW297.47 g/mol
LogP2.47
Rot. Bonds8

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

2-methoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine (PubChem CID 106617504) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is 2-methoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
PubChem CID106617504
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name2-methoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCOCCN(Cc1csc(C(C)C)n1)CC1CCCN1
InChIInChI=1S/C15H27N3OS/c1-12(2)15-17-14(11-20-15)10-18(7-8-19-3)9-13-5-4-6-16-13/h11-13,16H,4-10H2,1-3H3
InChIKeyTVMQXIJVQVRJJR-UHFFFAOYSA-N
XLogP2.47
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine with MolForge

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Related Compounds

N-(piperidin-2-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 106635856
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604086
2-propan-2-yl-4-(pyrrolidin-2-ylmethoxymethyl)-1,3-thiazole
CID 62333046
2-[2-methoxyethyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetic acid
CID 54969150
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603593
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603621
N-[(2,6-dichloro-3-pyridinyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106994993
N-[(4-chlorophenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106606243
N-[(3,5-difluorophenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106605797
N-[(3,4-dichlorophenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106606072
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106617692
N-[[3-(difluoromethyl)phenyl]methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106605874

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine?
The IUPAC name of 2-methoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine (CID 106617504) is 2-methoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-methoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-methoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine is COCCN(Cc1csc(C(C)C)n1)CC1CCCN1.
What is the InChIKey of 2-methoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine?
The InChIKey is TVMQXIJVQVRJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-12(2)15-17-14(11-20-15)10-18(7-8-19-3)9-13-5-4-6-16-13/h11-13,16H,4-10H2,1-3H3.
What are the key properties of 2-methoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine?
2-methoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine has a molecular weight of 297.47 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106617504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).