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

C14H26N4S — CID 63168205

IUPACN,N-dimethyl-1-[5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]pyrrolidin-3-amine
SMILESCC(C)CNCc1cnc(N2CCC(N(C)C)C2)s1
InChIInChI=1S/C14H26N4S/c1-11(2)7-15-8-13-9-16-14(19-13)18-6-5-12(10-18)17(3)4/h9,11-12,15H,5-8,10H2,1-4H3
InChIKeyALXWTENFXKZAPX-UHFFFAOYSA-N
MW282.46 g/mol
LogP2.03
Rot. Bonds6

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

N,N-dimethyl-1-[5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]pyrrolidin-3-amine (PubChem CID 63168205) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]pyrrolidin-3-amine
PubChem CID63168205
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC NameN,N-dimethyl-1-[5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]pyrrolidin-3-amine
SMILESCC(C)CNCc1cnc(N2CCC(N(C)C)C2)s1
InChIInChI=1S/C14H26N4S/c1-11(2)7-15-8-13-9-16-14(19-13)18-6-5-12(10-18)17(3)4/h9,11-12,15H,5-8,10H2,1-4H3
InChIKeyALXWTENFXKZAPX-UHFFFAOYSA-N
XLogP2.03
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]pyrrolidin-3-amine?
The IUPAC name of N,N-dimethyl-1-[5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]pyrrolidin-3-amine (CID 63168205) is N,N-dimethyl-1-[5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-[5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]pyrrolidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-[5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]pyrrolidin-3-amine is CC(C)CNCc1cnc(N2CCC(N(C)C)C2)s1.
What is the InChIKey of N,N-dimethyl-1-[5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]pyrrolidin-3-amine?
The InChIKey is ALXWTENFXKZAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-11(2)7-15-8-13-9-16-14(19-13)18-6-5-12(10-18)17(3)4/h9,11-12,15H,5-8,10H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]pyrrolidin-3-amine?
N,N-dimethyl-1-[5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]pyrrolidin-3-amine has a molecular weight of 282.46 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]pyrrolidin-3-amine is sourced from PubChem (CID 63168205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).