N,N,4-trimethyl-1-[5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]pyrrolidin-3-amine

C15H28N4S — CID 81470274

IUPACN,N,4-trimethyl-1-[5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]pyrrolidin-3-amine
SMILESCC(C)CNCc1cnc(N2CC(C)C(N(C)C)C2)s1
InChIInChI=1S/C15H28N4S/c1-11(2)6-16-7-13-8-17-15(20-13)19-9-12(3)14(10-19)18(4)5/h8,11-12,14,16H,6-7,9-10H2,1-5H3
InChIKeyZSFUNYLFEDOQAP-UHFFFAOYSA-N
MW296.48 g/mol
LogP2.28
Rot. Bonds6

About N,N,4-trimethyl-1-[5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]pyrrolidin-3-amine

N,N,4-trimethyl-1-[5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]pyrrolidin-3-amine (PubChem CID 81470274) has the molecular formula C15H28N4S and a molecular weight of 296.48 g/mol. Its IUPAC name is N,N,4-trimethyl-1-[5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-1-[5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]pyrrolidin-3-amine
PubChem CID81470274
Molecular FormulaC15H28N4S
Molecular Weight296.48 g/mol
Exact Mass296.20
IUPAC NameN,N,4-trimethyl-1-[5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]pyrrolidin-3-amine
SMILESCC(C)CNCc1cnc(N2CC(C)C(N(C)C)C2)s1
InChIInChI=1S/C15H28N4S/c1-11(2)6-16-7-13-8-17-15(20-13)19-9-12(3)14(10-19)18(4)5/h8,11-12,14,16H,6-7,9-10H2,1-5H3
InChIKeyZSFUNYLFEDOQAP-UHFFFAOYSA-N
XLogP2.28
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81469102
N,N-dimethyl-1-[5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]pyrrolidin-3-amine
CID 63168205
N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 103540249
2-methyl-N-[[2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 103503613
2-methyl-N-[[2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 102746189
N-[[2-(4-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62754074
1-[2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 79184250
N-[[2-(2,2-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62751980
N-cyclopropyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62752283
N-[[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62751920
N-[[2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 79184432
N-methyl-N-[(2-methylcyclopropyl)methyl]-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 63864052

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-1-[5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]pyrrolidin-3-amine?
The IUPAC name of N,N,4-trimethyl-1-[5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]pyrrolidin-3-amine (CID 81470274) is N,N,4-trimethyl-1-[5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]pyrrolidin-3-amine.
What is the SMILES notation for N,N,4-trimethyl-1-[5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]pyrrolidin-3-amine?
The canonical SMILES for N,N,4-trimethyl-1-[5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]pyrrolidin-3-amine is CC(C)CNCc1cnc(N2CC(C)C(N(C)C)C2)s1.
What is the InChIKey of N,N,4-trimethyl-1-[5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]pyrrolidin-3-amine?
The InChIKey is ZSFUNYLFEDOQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4S/c1-11(2)6-16-7-13-8-17-15(20-13)19-9-12(3)14(10-19)18(4)5/h8,11-12,14,16H,6-7,9-10H2,1-5H3.
What are the key properties of N,N,4-trimethyl-1-[5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]pyrrolidin-3-amine?
N,N,4-trimethyl-1-[5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]pyrrolidin-3-amine has a molecular weight of 296.48 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-1-[5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]pyrrolidin-3-amine is sourced from PubChem (CID 81470274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).