5-pentan-3-yl-N-(1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine

C14H22N2S2 — CID 114168314

IUPAC5-pentan-3-yl-N-(1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NC(C)c2cccs2)S1
InChIInChI=1S/C14H22N2S2/c1-4-11(5-2)13-9-15-14(18-13)16-10(3)12-7-6-8-17-12/h6-8,10-11,13H,4-5,9H2,1-3H3,(H,15,16)
InChIKeyOTNHBYGMYFUMFU-UHFFFAOYSA-N
MW282.48 g/mol
LogP4.31
Rot. Bonds5

About 5-pentan-3-yl-N-(1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine

5-pentan-3-yl-N-(1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 114168314) has the molecular formula C14H22N2S2 and a molecular weight of 282.48 g/mol. Its IUPAC name is 5-pentan-3-yl-N-(1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-pentan-3-yl-N-(1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID114168314
Molecular FormulaC14H22N2S2
Molecular Weight282.48 g/mol
Exact Mass282.12
IUPAC Name5-pentan-3-yl-N-(1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NC(C)c2cccs2)S1
InChIInChI=1S/C14H22N2S2/c1-4-11(5-2)13-9-15-14(18-13)16-10(3)12-7-6-8-17-12/h6-8,10-11,13H,4-5,9H2,1-3H3,(H,15,16)
InChIKeyOTNHBYGMYFUMFU-UHFFFAOYSA-N
XLogP4.31
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-N-(1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296799
N-(2-methylcyclopropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285186
N-(2,6-dichloro-3-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284776
N',N'-dimethyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)propane-1,3-diamine
CID 114168305
N'-ethyl-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 106285198
N-(3,4-dimethylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284901
N-[[1-(dimethylamino)cyclobutyl]methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285706
N-(2-cyclopropylpropan-2-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285865
N-[(1S)-1-thiophen-2-ylethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 81408564
N-(3-bromo-4-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285273
N-[(1-methylimidazol-2-yl)methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285264
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106406536

Frequently Asked Questions

What is the IUPAC name of 5-pentan-3-yl-N-(1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-pentan-3-yl-N-(1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 114168314) is 5-pentan-3-yl-N-(1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-pentan-3-yl-N-(1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-pentan-3-yl-N-(1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine is CCC(CC)C1CN=C(NC(C)c2cccs2)S1.
What is the InChIKey of 5-pentan-3-yl-N-(1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is OTNHBYGMYFUMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S2/c1-4-11(5-2)13-9-15-14(18-13)16-10(3)12-7-6-8-17-12/h6-8,10-11,13H,4-5,9H2,1-3H3,(H,15,16).
What are the key properties of 5-pentan-3-yl-N-(1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-pentan-3-yl-N-(1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 282.48 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentan-3-yl-N-(1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 114168314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).