N-methyl-1-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]methanamine

C11H19N3S — CID 82193993

IUPACN-methyl-1-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]methanamine
SMILESCNCc1csc(CCN2CCCC2)n1
InChIInChI=1S/C11H19N3S/c1-12-8-10-9-15-11(13-10)4-7-14-5-2-3-6-14/h9,12H,2-8H2,1H3
InChIKeyWTCVGDHYRPABNR-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.50
Rot. Bonds5

About N-methyl-1-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]methanamine

N-methyl-1-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]methanamine (PubChem CID 82193993) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-methyl-1-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]methanamine
PubChem CID82193993
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-methyl-1-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]methanamine
SMILESCNCc1csc(CCN2CCCC2)n1
InChIInChI=1S/C11H19N3S/c1-12-8-10-9-15-11(13-10)4-7-14-5-2-3-6-14/h9,12H,2-8H2,1H3
InChIKeyWTCVGDHYRPABNR-UHFFFAOYSA-N
XLogP1.50
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]acetonitrile
CID 82515340
N-methyl-1-[2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 82193978
2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carbonitrile
CID 82515352
[2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-4-yl]methanamine
CID 82515255
2-[3-(azocan-1-yl)propyl]-4-(chloromethyl)-1,3-thiazole
CID 43320490
2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]propan-2-amine
CID 82515335
2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]propan-2-ol
CID 82515336
1-[2-(fluoromethyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 84764244
2-[2-[2-(3-methylpiperidin-1-yl)ethyl]-1,3-thiazol-4-yl]acetonitrile
CID 82515282
N-methyl-1-[4-[(4-methylazepan-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
CID 63626664
1-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 115087989
N-methyl-1-[4-propyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methanamine
CID 82433121

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]methanamine (CID 82193993) is N-methyl-1-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]methanamine is CNCc1csc(CCN2CCCC2)n1.
What is the InChIKey of N-methyl-1-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]methanamine?
The InChIKey is WTCVGDHYRPABNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-12-8-10-9-15-11(13-10)4-7-14-5-2-3-6-14/h9,12H,2-8H2,1H3.
What are the key properties of N-methyl-1-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]methanamine?
N-methyl-1-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]methanamine has a molecular weight of 225.36 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 82193993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).