N-(2,2-diethyloxan-4-yl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

C16H30N2OS — CID 107154666

IUPACN-(2,2-diethyloxan-4-yl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1(CC)CC(NC2=NCC(CC(C)C)S2)CCO1
InChIInChI=1S/C16H30N2OS/c1-5-16(6-2)10-13(7-8-19-16)18-15-17-11-14(20-15)9-12(3)4/h12-14H,5-11H2,1-4H3,(H,17,18)
InChIKeyKFFWUVWEKQVSRR-UHFFFAOYSA-N
MW298.50 g/mol
LogP3.83
Rot. Bonds5

About N-(2,2-diethyloxan-4-yl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(2,2-diethyloxan-4-yl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107154666) has the molecular formula C16H30N2OS and a molecular weight of 298.50 g/mol. Its IUPAC name is N-(2,2-diethyloxan-4-yl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,2-diethyloxan-4-yl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107154666
Molecular FormulaC16H30N2OS
Molecular Weight298.50 g/mol
Exact Mass298.21
IUPAC NameN-(2,2-diethyloxan-4-yl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1(CC)CC(NC2=NCC(CC(C)C)S2)CCO1
InChIInChI=1S/C16H30N2OS/c1-5-16(6-2)10-13(7-8-19-16)18-15-17-11-14(20-15)9-12(3)4/h12-14H,5-11H2,1-4H3,(H,17,18)
InChIKeyKFFWUVWEKQVSRR-UHFFFAOYSA-N
XLogP3.83
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-diethyloxan-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83029335
5-(2-methylpropyl)-N-(1-oxothian-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154781
5-(2-methylpropyl)-N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 107153676
N-(2,2-diethyloxan-4-yl)-4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-amine
CID 106363578
N-[(1-ethylcyclobutyl)methyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 114108938
N-butan-2-yl-2,2-diethyloxan-4-amine
CID 83033470
N-(1-cyclopropylpropan-2-yl)-2,2-diethyloxan-4-amine
CID 115897078
N-(2,2-diethyloxan-4-yl)-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106578832
1-methyl-3-[[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]pyrrolidin-2-one
CID 106252132
N-[4-(1,3-dioxolan-2-yl)phenyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154881
5-cyclopropyl-N-(2,2-dimethyloxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 83029259
5-chloro-N-(2,2-diethyloxan-4-yl)pyrimidin-2-amine
CID 82760303

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyloxan-4-yl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2,2-diethyloxan-4-yl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107154666) is N-(2,2-diethyloxan-4-yl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,2-diethyloxan-4-yl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,2-diethyloxan-4-yl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CCC1(CC)CC(NC2=NCC(CC(C)C)S2)CCO1.
What is the InChIKey of N-(2,2-diethyloxan-4-yl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is KFFWUVWEKQVSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2OS/c1-5-16(6-2)10-13(7-8-19-16)18-15-17-11-14(20-15)9-12(3)4/h12-14H,5-11H2,1-4H3,(H,17,18).
What are the key properties of N-(2,2-diethyloxan-4-yl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(2,2-diethyloxan-4-yl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 298.50 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyloxan-4-yl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107154666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).