1-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylpyrrolidin-3-amine

C12H21N3S — CID 63280699

IUPAC1-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylpyrrolidin-3-amine
SMILESCCCNC1CCN(Cc2scnc2C)C1
InChIInChI=1S/C12H21N3S/c1-3-5-13-11-4-6-15(7-11)8-12-10(2)14-9-16-12/h9,11,13H,3-8H2,1-2H3
InChIKeyGEQHXURFLVSOLB-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.03
Rot. Bonds5

About 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylpyrrolidin-3-amine

1-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylpyrrolidin-3-amine (PubChem CID 63280699) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylpyrrolidin-3-amine
PubChem CID63280699
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name1-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylpyrrolidin-3-amine
SMILESCCCNC1CCN(Cc2scnc2C)C1
InChIInChI=1S/C12H21N3S/c1-3-5-13-11-4-6-15(7-11)8-12-10(2)14-9-16-12/h9,11,13H,3-8H2,1-2H3
InChIKeyGEQHXURFLVSOLB-UHFFFAOYSA-N
XLogP2.03
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]ethanol
CID 53193301
N-propyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine
CID 60860967
4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propylcyclohexane-1,4-diamine
CID 114763344
6-methyl-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]pyridin-2-amine
CID 84594186
1-[(5-methylfuran-2-yl)methyl]-N-propylpyrrolidin-3-amine
CID 62524561
N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidin-4-amine
CID 172881471
N,2-dimethyl-6-[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine
CID 124958456
4-N,4-N-dimethyl-6-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidine-4,6-diamine
CID 172881623
N-propyl-1-(quinolin-8-ylmethyl)pyrrolidin-3-amine
CID 81427742
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-propylcyclohexan-1-amine
CID 62069776
4-N,4-N-dimethyl-2-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 172881622
4-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole
CID 62487816

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylpyrrolidin-3-amine?
The IUPAC name of 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylpyrrolidin-3-amine (CID 63280699) is 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylpyrrolidin-3-amine?
The canonical SMILES for 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylpyrrolidin-3-amine is CCCNC1CCN(Cc2scnc2C)C1.
What is the InChIKey of 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylpyrrolidin-3-amine?
The InChIKey is GEQHXURFLVSOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-3-5-13-11-4-6-15(7-11)8-12-10(2)14-9-16-12/h9,11,13H,3-8H2,1-2H3.
What are the key properties of 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylpyrrolidin-3-amine?
1-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylpyrrolidin-3-amine has a molecular weight of 239.39 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 63280699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).