N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

C16H28N2S — CID 61247540

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CSC(NC(C)C2CC3CCC2C3)=N1
InChIInChI=1S/C16H28N2S/c1-10(2)6-14-9-19-16(18-14)17-11(3)15-8-12-4-5-13(15)7-12/h10-15H,4-9H2,1-3H3,(H,17,18)
InChIKeyCIRYMPCJSDRPGI-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.92
Rot. Bonds4

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 61247540) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID61247540
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CSC(NC(C)C2CC3CCC2C3)=N1
InChIInChI=1S/C16H28N2S/c1-10(2)6-14-9-19-16(18-14)17-11(3)15-8-12-4-5-13(15)7-12/h10-15H,4-9H2,1-3H3,(H,17,18)
InChIKeyCIRYMPCJSDRPGI-UHFFFAOYSA-N
XLogP3.92
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine with MolForge

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Related Compounds

4-(2-methylpropyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 113387451
1-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 62998246
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-methylpropan-1-amine
CID 124526543
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4,6-dichloro-1,3,5-triazin-2-amine
CID 62870256
N-(2-methylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61247555
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,4-dimethylimidazol-2-amine
CID 106557760
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-fluoropyrimidin-2-amine
CID 112703061
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-(chloromethyl)-1,3,4-oxadiazol-2-amine
CID 106959062
N,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanediamide
CID 3500052
N-(4-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61247548
4-(2-methylpropyl)-N-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61245797
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-cyclopropylimidazol-2-amine
CID 106557764

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 61247540) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CC1CSC(NC(C)C2CC3CCC2C3)=N1.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is CIRYMPCJSDRPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-10(2)6-14-9-19-16(18-14)17-11(3)15-8-12-4-5-13(15)7-12/h10-15H,4-9H2,1-3H3,(H,17,18).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 280.48 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 61247540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).