[5-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine

C13H23N3S — CID 120843071

IUPAC[5-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine
SMILESCCCc1csc(CN2CC(CN)CC2C)n1
InChIInChI=1S/C13H23N3S/c1-3-4-12-9-17-13(15-12)8-16-7-11(6-14)5-10(16)2/h9-11H,3-8,14H2,1-2H3
InChIKeyBCHAIQJGDZYYPN-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.26
Rot. Bonds5

About [5-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine

[5-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine (PubChem CID 120843071) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is [5-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine
PubChem CID120843071
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name[5-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine
SMILESCCCc1csc(CN2CC(CN)CC2C)n1
InChIInChI=1S/C13H23N3S/c1-3-4-12-9-17-13(15-12)8-16-7-11(6-14)5-10(16)2/h9-11H,3-8,14H2,1-2H3
InChIKeyBCHAIQJGDZYYPN-UHFFFAOYSA-N
XLogP2.26
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-methyl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methanamine
CID 115486083
[5-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
CID 113319953
[1-[(2-chlorothiophen-3-yl)methyl]-5-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120842955
(2S,5S)-2,5-dimethyl-4-[(2-propyl-1,3-thiazol-4-yl)methyl]morpholine
CID 94066345
2-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120846302
1-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]ethanamine
CID 120897022
[1-[(6-chloro-2-pyridinyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 115486064
5-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 79994218
N-methyl-1-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 120842796
[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 120843077
N-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-amine;hydrochloride
CID 120838062
2-[4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 66387478

Frequently Asked Questions

What is the IUPAC name of [5-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [5-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine (CID 120843071) is [5-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine is CCCc1csc(CN2CC(CN)CC2C)n1.
What is the InChIKey of [5-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is BCHAIQJGDZYYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-3-4-12-9-17-13(15-12)8-16-7-11(6-14)5-10(16)2/h9-11H,3-8,14H2,1-2H3.
What are the key properties of [5-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine?
[5-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 253.41 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120843071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).