N-[[2-(2-bicyclo[2.2.1]heptanyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine

C15H24N2S — CID 113383609

IUPACN-[[2-(2-bicyclo[2.2.1]heptanyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCc1nc(C2CC3CCC2C3)sc1CNC(C)C
InChIInChI=1S/C15H24N2S/c1-9(2)16-8-14-10(3)17-15(18-14)13-7-11-4-5-12(13)6-11/h9,11-13,16H,4-8H2,1-3H3
InChIKeyLBWKXYCEEIWEFO-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.85
Rot. Bonds4

About N-[[2-(2-bicyclo[2.2.1]heptanyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine

N-[[2-(2-bicyclo[2.2.1]heptanyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 113383609) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is N-[[2-(2-bicyclo[2.2.1]heptanyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-bicyclo[2.2.1]heptanyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID113383609
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC NameN-[[2-(2-bicyclo[2.2.1]heptanyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCc1nc(C2CC3CCC2C3)sc1CNC(C)C
InChIInChI=1S/C15H24N2S/c1-9(2)16-8-14-10(3)17-15(18-14)13-7-11-4-5-12(13)6-11/h9,11-13,16H,4-8H2,1-3H3
InChIKeyLBWKXYCEEIWEFO-UHFFFAOYSA-N
XLogP3.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(2-bicyclo[2.2.1]heptanyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[4-methyl-2-(2-methylcyclopropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 65419578
N-[[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 79974027
N,4-dimethyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62767575
N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 103503686
N-[[2-[cyclopropyl(methoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116730560
N,4-dimethyl-N-(oxan-4-ylmethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 63706345
N-[[2-(7-oxabicyclo[2.2.1]heptan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114365491
N-[[4-methyl-2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62404257
N-[[4-propan-2-yl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114365463
N-[[2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116777889
2-(2-bicyclo[2.2.1]heptanyl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 104838437
N-[[4-methyl-2-(3,4,5-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114540531

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-bicyclo[2.2.1]heptanyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-bicyclo[2.2.1]heptanyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 113383609) is N-[[2-(2-bicyclo[2.2.1]heptanyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-bicyclo[2.2.1]heptanyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-bicyclo[2.2.1]heptanyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine is Cc1nc(C2CC3CCC2C3)sc1CNC(C)C.
What is the InChIKey of N-[[2-(2-bicyclo[2.2.1]heptanyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is LBWKXYCEEIWEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-9(2)16-8-14-10(3)17-15(18-14)13-7-11-4-5-12(13)6-11/h9,11-13,16H,4-8H2,1-3H3.
What are the key properties of N-[[2-(2-bicyclo[2.2.1]heptanyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-(2-bicyclo[2.2.1]heptanyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 264.44 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-bicyclo[2.2.1]heptanyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 113383609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).