N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine

C12H21N3S — CID 78992450

IUPACN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
SMILESCc1csc(CNC(C)CN2CCCC2)n1
InChIInChI=1S/C12H21N3S/c1-10(8-15-5-3-4-6-15)13-7-12-14-11(2)9-16-12/h9-10,13H,3-8H2,1-2H3
InChIKeyRCLVGWANCHNZBV-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.03
Rot. Bonds5

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

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine (PubChem CID 78992450) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
PubChem CID78992450
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
SMILESCc1csc(CNC(C)CN2CCCC2)n1
InChIInChI=1S/C12H21N3S/c1-10(8-15-5-3-4-6-15)13-7-12-14-11(2)9-16-12/h9-10,13H,3-8H2,1-2H3
InChIKeyRCLVGWANCHNZBV-UHFFFAOYSA-N
XLogP2.03
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 56714130
1-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 107859632
1-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 94029380
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pent-4-en-2-amine
CID 115633786
1-ethylsulfanyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 115660732
N-[(5-methylpyrazin-2-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 112700198
N-[(3-chloro-4-methylthiophen-2-yl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 103401557
4-[(1-piperidin-1-ylpropan-2-ylamino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103247696
2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 61044563
4-methylsulfinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine
CID 115697611
1-(1-methylpiperidin-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 54913507
N-[(4-methyl-1,3-thiazol-2-yl)methyl]but-3-en-2-amine
CID 115691306

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine (CID 78992450) is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine is Cc1csc(CNC(C)CN2CCCC2)n1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine?
The InChIKey is RCLVGWANCHNZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-10(8-15-5-3-4-6-15)13-7-12-14-11(2)9-16-12/h9-10,13H,3-8H2,1-2H3.
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine?
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine has a molecular weight of 239.39 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine is sourced from PubChem (CID 78992450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).