N-[(3-methylpyrrolidin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine

C12H21N3S — CID 102776004

IUPACN-[(3-methylpyrrolidin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1csc(CCNCC2NCCC2C)n1
InChIInChI=1S/C12H21N3S/c1-9-3-6-14-11(9)7-13-5-4-12-15-10(2)8-16-12/h8-9,11,13-14H,3-7H2,1-2H3
InChIKeyNGBYCHBRRGJAED-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.58
Rot. Bonds5

About N-[(3-methylpyrrolidin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine

N-[(3-methylpyrrolidin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 102776004) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-[(3-methylpyrrolidin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-methylpyrrolidin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID102776004
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-[(3-methylpyrrolidin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1csc(CCNCC2NCCC2C)n1
InChIInChI=1S/C12H21N3S/c1-9-3-6-14-11(9)7-13-5-4-12-15-10(2)8-16-12/h8-9,11,13-14H,3-7H2,1-2H3
InChIKeyNGBYCHBRRGJAED-UHFFFAOYSA-N
XLogP1.58
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methylpiperidin-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 107069255
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidin-4-amine
CID 63239020
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-piperidin-3-ylethanamine
CID 63241058
N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63241013
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 63239882
2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 63000811
3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 104859672
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-morpholin-2-ylethanamine
CID 66426868
2-(4-methyl-1,3-thiazol-2-yl)ethylhydrazine
CID 105220758
N-ethyl-4-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolan-3-amine
CID 66259346
3,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine
CID 64752621
2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]acetic acid
CID 82103146

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylpyrrolidin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[(3-methylpyrrolidin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 102776004) is N-[(3-methylpyrrolidin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[(3-methylpyrrolidin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[(3-methylpyrrolidin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is Cc1csc(CCNCC2NCCC2C)n1.
What is the InChIKey of N-[(3-methylpyrrolidin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is NGBYCHBRRGJAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-9-3-6-14-11(9)7-13-5-4-12-15-10(2)8-16-12/h8-9,11,13-14H,3-7H2,1-2H3.
What are the key properties of N-[(3-methylpyrrolidin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
N-[(3-methylpyrrolidin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 239.39 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylpyrrolidin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 102776004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).