N-[[2-(2-ethylpyrrolidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine

C17H31N3S — CID 62766160

IUPACN-[[2-(2-ethylpyrrolidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCCCc1nc(N2CCCC2CC)sc1CNCC(C)C
InChIInChI=1S/C17H31N3S/c1-5-8-15-16(12-18-11-13(3)4)21-17(19-15)20-10-7-9-14(20)6-2/h13-14,18H,5-12H2,1-4H3
InChIKeyYWVYXVYRMZEXKR-UHFFFAOYSA-N
MW309.52 g/mol
LogP4.22
Rot. Bonds8

About N-[[2-(2-ethylpyrrolidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine

N-[[2-(2-ethylpyrrolidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62766160) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is N-[[2-(2-ethylpyrrolidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-ethylpyrrolidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID62766160
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC NameN-[[2-(2-ethylpyrrolidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCCCc1nc(N2CCCC2CC)sc1CNCC(C)C
InChIInChI=1S/C17H31N3S/c1-5-8-15-16(12-18-11-13(3)4)21-17(19-15)20-10-7-9-14(20)6-2/h13-14,18H,5-12H2,1-4H3
InChIKeyYWVYXVYRMZEXKR-UHFFFAOYSA-N
XLogP4.22
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(2-ethylpyrrolidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 62888934
N-[[2-(2-ethylpyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 79395687
N-[[4-ethyl-2-(2-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62769163
N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62769102
N-[[4-(methoxymethyl)-2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 107509487
N-[(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82432254
N-[[2-(2-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82433326
2-methyl-N-[(2-methyl-4-propyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 82431222
N-[[4-ethyl-2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104692540
N-[[2-(3-ethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62767997
N-cyclopentyl-N-methyl-5-[(2-methylpropylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 63514472
1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 65322355

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethylpyrrolidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(2-ethylpyrrolidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (CID 62766160) is N-[[2-(2-ethylpyrrolidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(2-ethylpyrrolidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(2-ethylpyrrolidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is CCCc1nc(N2CCCC2CC)sc1CNCC(C)C.
What is the InChIKey of N-[[2-(2-ethylpyrrolidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is YWVYXVYRMZEXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-5-8-15-16(12-18-11-13(3)4)21-17(19-15)20-10-7-9-14(20)6-2/h13-14,18H,5-12H2,1-4H3.
What are the key properties of N-[[2-(2-ethylpyrrolidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(2-ethylpyrrolidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 309.52 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethylpyrrolidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62766160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).