N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine

C13H23N3S — CID 43768380

IUPACN-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
SMILESCc1ncsc1C(C)NCCCN1CCCC1
InChIInChI=1S/C13H23N3S/c1-11(13-12(2)15-10-17-13)14-6-5-9-16-7-3-4-8-16/h10-11,14H,3-9H2,1-2H3
InChIKeyOJTOZIBMBVKQMW-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.59
Rot. Bonds6

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

N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 43768380) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID43768380
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
SMILESCc1ncsc1C(C)NCCCN1CCCC1
InChIInChI=1S/C13H23N3S/c1-11(13-12(2)15-10-17-13)14-6-5-9-16-7-3-4-8-16/h10-11,14H,3-9H2,1-2H3
InChIKeyOJTOZIBMBVKQMW-UHFFFAOYSA-N
XLogP2.59
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-bromothiophen-2-yl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43768298
3-cyclohexyloxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 43770856
N-(cyclopentylmethyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 43775593
N'-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 62634392
N-(1-pyridin-4-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 43203851
N-[1-(2-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43096146
3-pyrrolidin-1-yl-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62091363
N-[(1R)-1-(4-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657866
2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 112699088
3-piperidin-1-yl-N-(1-pyridin-2-ylethyl)propan-1-amine
CID 43203794
N-[1-(2,6-difluorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43203849
N-[(1S)-1-(2-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657896

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine (CID 43768380) is N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine is Cc1ncsc1C(C)NCCCN1CCCC1.
What is the InChIKey of N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is OJTOZIBMBVKQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-11(13-12(2)15-10-17-13)14-6-5-9-16-7-3-4-8-16/h10-11,14H,3-9H2,1-2H3.
What are the key properties of N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine?
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 43768380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).