N-pentan-3-yl-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine

C14H20N2S — CID 43439586

IUPACN-pentan-3-yl-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)NC1=NCC(c2ccccc2)S1
InChIInChI=1S/C14H20N2S/c1-3-12(4-2)16-14-15-10-13(17-14)11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3,(H,15,16)
InChIKeyKIAFFUFUFZCUBV-UHFFFAOYSA-N
MW248.39 g/mol
LogP3.61
Rot. Bonds4

About N-pentan-3-yl-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine

N-pentan-3-yl-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43439586) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-pentan-3-yl-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-pentan-3-yl-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43439586
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC NameN-pentan-3-yl-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)NC1=NCC(c2ccccc2)S1
InChIInChI=1S/C14H20N2S/c1-3-12(4-2)16-14-15-10-13(17-14)11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3,(H,15,16)
InChIKeyKIAFFUFUFZCUBV-UHFFFAOYSA-N
XLogP3.61
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-pentan-3-yl-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine (CID 43439586) is N-pentan-3-yl-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-pentan-3-yl-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-pentan-3-yl-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine is CCC(CC)NC1=NCC(c2ccccc2)S1.
What is the InChIKey of N-pentan-3-yl-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is KIAFFUFUFZCUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-3-12(4-2)16-14-15-10-13(17-14)11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3,(H,15,16).
What are the key properties of N-pentan-3-yl-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
N-pentan-3-yl-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 248.39 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43439586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).