N-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine

C12H21N3S — CID 106603791

IUPACN-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
SMILESCCCN(Cc1cncs1)CC1CCCN1
InChIInChI=1S/C12H21N3S/c1-2-6-15(8-11-4-3-5-14-11)9-12-7-13-10-16-12/h7,10-11,14H,2-6,8-9H2,1H3
InChIKeyRGZAQQIFDMDXNG-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.11
Rot. Bonds6

About N-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine

N-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine (PubChem CID 106603791) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
PubChem CID106603791
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
SMILESCCCN(Cc1cncs1)CC1CCCN1
InChIInChI=1S/C12H21N3S/c1-2-6-15(8-11-4-3-5-14-11)9-12-7-13-10-16-12/h7,10-11,14H,2-6,8-9H2,1H3
InChIKeyRGZAQQIFDMDXNG-UHFFFAOYSA-N
XLogP2.11
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-piperidin-2-yl-N-(1,3-thiazol-5-ylmethyl)methanamine;hydrochloride
CID 71641920
N-[(3-cyclopropylimidazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604138
N-[(4-methyl-3-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603786
N-(piperidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 106623603
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604086
N-[(3-cyclopropylimidazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623545
N-[(5-iodo-1,3-thiazol-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 112755518
N-(piperidin-2-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 106635856
N-(pyrrolidin-2-ylmethyl)-N-[(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 106603917
N-(1,2-oxazol-5-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635999
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603931
4-bromo-2-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 107739200

Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine?
The IUPAC name of N-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine (CID 106603791) is N-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine.
What is the SMILES notation for N-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine?
The canonical SMILES for N-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine is CCCN(Cc1cncs1)CC1CCCN1.
What is the InChIKey of N-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine?
The InChIKey is RGZAQQIFDMDXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-2-6-15(8-11-4-3-5-14-11)9-12-7-13-10-16-12/h7,10-11,14H,2-6,8-9H2,1H3.
What are the key properties of N-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine?
N-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine has a molecular weight of 239.39 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine is sourced from PubChem (CID 106603791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).