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

C12H21N3S — CID 63830989

IUPACN-[[1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCN(Cc2cscn2)C1
InChIInChI=1S/C12H21N3S/c1-10(2)13-5-11-3-4-15(6-11)7-12-8-16-9-14-12/h8-11,13H,3-7H2,1-2H3
InChIKeyABDRHOQQRXKRMX-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.96
Rot. Bonds5

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

N-[[1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine (PubChem CID 63830989) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-[[1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine
PubChem CID63830989
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-[[1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCN(Cc2cscn2)C1
InChIInChI=1S/C12H21N3S/c1-10(2)13-5-11-3-4-15(6-11)7-12-8-16-9-14-12/h8-11,13H,3-7H2,1-2H3
InChIKeyABDRHOQQRXKRMX-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 97319043
N-[[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512311
N-(cyclopropylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine
CID 78924569
N-[[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512469
N-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 104869160
4-[[(3S)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 99959433
N-[[1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 55142104
4-[[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 97188791
N-[[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 104973667
1-(1,3-thiazol-4-ylmethyl)-N-(2,2,5-trimethylhexan-3-yl)piperidin-4-amine
CID 75444299
N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 106402344
N-[[1-[(5-bromo-2-pyridinyl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 104798203

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine (CID 63830989) is N-[[1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine is CC(C)NCC1CCN(Cc2cscn2)C1.
What is the InChIKey of N-[[1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine?
The InChIKey is ABDRHOQQRXKRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-10(2)13-5-11-3-4-15(6-11)7-12-8-16-9-14-12/h8-11,13H,3-7H2,1-2H3.
What are the key properties of N-[[1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine?
N-[[1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine has a molecular weight of 239.39 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 63830989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).