N-[[1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine

C14H25N3S — CID 113387327

IUPACN-[[1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCc1cnc(C(C)N2CCC(CNC(C)C)C2)s1
InChIInChI=1S/C14H25N3S/c1-10(2)15-8-13-5-6-17(9-13)12(4)14-16-7-11(3)18-14/h7,10,12-13,15H,5-6,8-9H2,1-4H3
InChIKeyONVKACJSLMVSCC-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.83
Rot. Bonds5

About N-[[1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine

N-[[1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine (PubChem CID 113387327) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[[1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
PubChem CID113387327
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-[[1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCc1cnc(C(C)N2CCC(CNC(C)C)C2)s1
InChIInChI=1S/C14H25N3S/c1-10(2)15-8-13-5-6-17(9-13)12(4)14-16-7-11(3)18-14/h7,10,12-13,15H,5-6,8-9H2,1-4H3
InChIKeyONVKACJSLMVSCC-UHFFFAOYSA-N
XLogP2.83
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62511792
N-[[1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513257
tert-butyl 4-[[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]methyl]piperidine-1-carboxylate
CID 71969701
N-[[1-[1-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512457
N-[[1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 63240776
N-[[1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 63830989
N-[[1-(1-methoxypropan-2-yl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512388
N-methyl-1-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine
CID 64991097
N-[[1-[1-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 63240956
N-[[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 104973667
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1-pyridin-3-ylethanamine
CID 61208112
N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-2-amine
CID 62592660

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine (CID 113387327) is N-[[1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine is Cc1cnc(C(C)N2CCC(CNC(C)C)C2)s1.
What is the InChIKey of N-[[1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine?
The InChIKey is ONVKACJSLMVSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-10(2)15-8-13-5-6-17(9-13)12(4)14-16-7-11(3)18-14/h7,10,12-13,15H,5-6,8-9H2,1-4H3.
What are the key properties of N-[[1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine?
N-[[1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine has a molecular weight of 267.44 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 113387327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).