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

C14H26N4S — CID 62888907

IUPACN-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(N2CCCC2CN(C)C)s1
InChIInChI=1S/C14H26N4S/c1-11(2)15-8-13-9-16-14(19-13)18-7-5-6-12(18)10-17(3)4/h9,11-12,15H,5-8,10H2,1-4H3
InChIKeyPXUQKMHQYGOKPH-UHFFFAOYSA-N
MW282.46 g/mol
LogP2.17
Rot. Bonds6

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

N-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 62888907) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is N-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID62888907
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC NameN-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(N2CCCC2CN(C)C)s1
InChIInChI=1S/C14H26N4S/c1-11(2)15-8-13-9-16-14(19-13)18-7-5-6-12(18)10-17(3)4/h9,11-12,15H,5-8,10H2,1-4H3
InChIKeyPXUQKMHQYGOKPH-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-5-yl]ethanamine
CID 55127959
N-[[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 55114053
N-[[2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62751801
N-[1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 64544175
N-[[2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62751389
N-(1-ethylpiperidin-4-yl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62754452
N-[[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 104692497
N-(1-cyclopropylethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62751631
N-[[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 66383428
N-[[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65322638
N-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 62888934
N-[[2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62752264

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 62888907) is N-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-5-yl]methyl]propan-2-amine is CC(C)NCc1cnc(N2CCCC2CN(C)C)s1.
What is the InChIKey of N-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is PXUQKMHQYGOKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-11(2)15-8-13-9-16-14(19-13)18-7-5-6-12(18)10-17(3)4/h9,11-12,15H,5-8,10H2,1-4H3.
What are the key properties of N-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 282.46 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 62888907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).