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

C15H27N3S — CID 114369093

IUPACN-[[4-(2-methylpropyl)-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)Cc1nc(N2CCCC2)sc1CNC(C)C
InChIInChI=1S/C15H27N3S/c1-11(2)9-13-14(10-16-12(3)4)19-15(17-13)18-7-5-6-8-18/h11-12,16H,5-10H2,1-4H3
InChIKeyDJEHPQVKZZARIA-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.44
Rot. Bonds6

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

N-[[4-(2-methylpropyl)-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 114369093) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N-[[4-(2-methylpropyl)-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(2-methylpropyl)-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID114369093
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN-[[4-(2-methylpropyl)-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)Cc1nc(N2CCCC2)sc1CNC(C)C
InChIInChI=1S/C15H27N3S/c1-11(2)9-13-14(10-16-12(3)4)19-15(17-13)18-7-5-6-8-18/h11-12,16H,5-10H2,1-4H3
InChIKeyDJEHPQVKZZARIA-UHFFFAOYSA-N
XLogP3.44
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(2-methylpropyl)-2-piperidin-1-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114369268
N-[[2-(azepan-1-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114369520
N-[(4-cyclopropyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 63918492
4-(2-methylpropyl)-2-pyrrolidin-1-yl-1,3-thiazol-5-amine
CID 96603728
N-[(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 62765156
N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 115562442
N-[(4-cyclopropyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 82438000
N-[[4-cyclopropyl-2-(4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 63917905
N-[[2-(azepan-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 55112709
N-[[4-ethyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62764650
N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 103503686
N-[[4-tert-butyl-2-(1,4-thiazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62769320

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylpropyl)-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(2-methylpropyl)-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 114369093) is N-[[4-(2-methylpropyl)-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(2-methylpropyl)-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(2-methylpropyl)-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]methyl]propan-2-amine is CC(C)Cc1nc(N2CCCC2)sc1CNC(C)C.
What is the InChIKey of N-[[4-(2-methylpropyl)-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is DJEHPQVKZZARIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-11(2)9-13-14(10-16-12(3)4)19-15(17-13)18-7-5-6-8-18/h11-12,16H,5-10H2,1-4H3.
What are the key properties of N-[[4-(2-methylpropyl)-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[4-(2-methylpropyl)-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 281.47 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylpropyl)-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 114369093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).