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

C15H28N2S2 — CID 106285911

IUPACN-(3-methylsulfanylcyclohexyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NC2CCCC(SC)C2)S1
InChIInChI=1S/C15H28N2S2/c1-4-11(5-2)14-10-16-15(19-14)17-12-7-6-8-13(9-12)18-3/h11-14H,4-10H2,1-3H3,(H,16,17)
InChIKeyARDOTAMKTNOBCM-UHFFFAOYSA-N
MW300.54 g/mol
LogP4.16
Rot. Bonds5

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

N-(3-methylsulfanylcyclohexyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106285911) has the molecular formula C15H28N2S2 and a molecular weight of 300.54 g/mol. Its IUPAC name is N-(3-methylsulfanylcyclohexyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylcyclohexyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106285911
Molecular FormulaC15H28N2S2
Molecular Weight300.54 g/mol
Exact Mass300.17
IUPAC NameN-(3-methylsulfanylcyclohexyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NC2CCCC(SC)C2)S1
InChIInChI=1S/C15H28N2S2/c1-4-11(5-2)14-10-16-15(19-14)17-12-7-6-8-13(9-12)18-3/h11-14H,4-10H2,1-3H3,(H,16,17)
InChIKeyARDOTAMKTNOBCM-UHFFFAOYSA-N
XLogP4.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.54
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284732
N-(4,4-dimethylcyclohexyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285326
N-(1-cyclopentylethyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285314
5-pentan-3-yl-N-(2,2,3-trimethylbutyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106285842
N-[(1-methylimidazol-2-yl)methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285264
5-pentan-3-yl-N-(2-phenylcyclopropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106285093
3-methyl-N-(3-methylsulfanylcyclohexyl)-1,2,4-thiadiazol-5-amine
CID 103703272
N-(2-cyclopropylpropan-2-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285865
N-cyclopropyl-2-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetamide
CID 106284971
N-[[1-(dimethylamino)cyclobutyl]methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285706
N'-cyclopropyl-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 114168349
N'-ethyl-N'-methyl-N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 106285198

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylcyclohexyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(3-methylsulfanylcyclohexyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 106285911) is N-(3-methylsulfanylcyclohexyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-methylsulfanylcyclohexyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-methylsulfanylcyclohexyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is CCC(CC)C1CN=C(NC2CCCC(SC)C2)S1.
What is the InChIKey of N-(3-methylsulfanylcyclohexyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is ARDOTAMKTNOBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S2/c1-4-11(5-2)14-10-16-15(19-14)17-12-7-6-8-13(9-12)18-3/h11-14H,4-10H2,1-3H3,(H,16,17).
What are the key properties of N-(3-methylsulfanylcyclohexyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-(3-methylsulfanylcyclohexyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 300.54 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylcyclohexyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106285911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).