1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine

C13H21N3S — CID 54920898

IUPAC1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCc1nc(CNCC2CCN(C3CC3)C2)cs1
InChIInChI=1S/C13H21N3S/c1-10-15-12(9-17-10)7-14-6-11-4-5-16(8-11)13-2-3-13/h9,11,13-14H,2-8H2,1H3
InChIKeyCWFYKETUJYTRJI-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.03
Rot. Bonds5

About 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine

1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine (PubChem CID 54920898) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
PubChem CID54920898
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCc1nc(CNCC2CCN(C3CC3)C2)cs1
InChIInChI=1S/C13H21N3S/c1-10-15-12(9-17-10)7-14-6-11-4-5-16(8-11)13-2-3-13/h9,11,13-14H,2-8H2,1H3
InChIKeyCWFYKETUJYTRJI-UHFFFAOYSA-N
XLogP2.03
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 54898941
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 60856314
1-(1-methylsulfonylpiperidin-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 79604712
3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclobutan-1-ol
CID 66006508
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 60762346
3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-amine
CID 63046471
3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 115654558
1-(1-methylpiperidin-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 56877502
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2-methylquinolin-6-yl)methyl]methanamine
CID 119034515
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine
CID 62127942
N-[(4-cyclopropylphenyl)methyl]-1-(1-cyclopropylpyrrolidin-3-yl)methanamine
CID 79969166
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 95555582

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine (CID 54920898) is 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine is Cc1nc(CNCC2CCN(C3CC3)C2)cs1.
What is the InChIKey of 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
The InChIKey is CWFYKETUJYTRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-10-15-12(9-17-10)7-14-6-11-4-5-16(8-11)13-2-3-13/h9,11,13-14H,2-8H2,1H3.
What are the key properties of 1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
1-(1-cyclopropylpyrrolidin-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine has a molecular weight of 251.40 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-(1-cyclopropylpyrrolidin-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine is sourced from PubChem (CID 54920898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).