N-methyl-2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanamine

C14H25N3S — CID 115090126

IUPACN-methyl-2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanamine
SMILESCNCCc1cnc(CC2CCN(C(C)C)C2)s1
InChIInChI=1S/C14H25N3S/c1-11(2)17-7-5-12(10-17)8-14-16-9-13(18-14)4-6-15-3/h9,11-12,15H,4-8,10H2,1-3H3
InChIKeyXVPOWZCRMXRCCC-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.18
Rot. Bonds6

About N-methyl-2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanamine

N-methyl-2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanamine (PubChem CID 115090126) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-methyl-2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanamine
PubChem CID115090126
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-methyl-2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanamine
SMILESCNCCc1cnc(CC2CCN(C(C)C)C2)s1
InChIInChI=1S/C14H25N3S/c1-11(2)17-7-5-12(10-17)8-14-16-9-13(18-14)4-6-15-3/h9,11-12,15H,4-8,10H2,1-3H3
InChIKeyXVPOWZCRMXRCCC-UHFFFAOYSA-N
XLogP2.18
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-methyl-2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanamine (CID 115090126) is N-methyl-2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanamine is CNCCc1cnc(CC2CCN(C(C)C)C2)s1.
What is the InChIKey of N-methyl-2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanamine?
The InChIKey is XVPOWZCRMXRCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-11(2)17-7-5-12(10-17)8-14-16-9-13(18-14)4-6-15-3/h9,11-12,15H,4-8,10H2,1-3H3.
What are the key properties of N-methyl-2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanamine?
N-methyl-2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanamine has a molecular weight of 267.44 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 115090126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).