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

C14H26N2OS — CID 83028594

IUPACN-(2,2-dimethyloxan-4-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CSC(NC2CCOC(C)(C)C2)=N1
InChIInChI=1S/C14H26N2OS/c1-10(2)7-12-9-18-13(16-12)15-11-5-6-17-14(3,4)8-11/h10-12H,5-9H2,1-4H3,(H,15,16)
InChIKeyLWMTZCLFWOQCRA-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.05
Rot. Bonds3

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

N-(2,2-dimethyloxan-4-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 83028594) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID83028594
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-(2,2-dimethyloxan-4-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CSC(NC2CCOC(C)(C)C2)=N1
InChIInChI=1S/C14H26N2OS/c1-10(2)7-12-9-18-13(16-12)15-11-5-6-17-14(3,4)8-11/h10-12H,5-9H2,1-4H3,(H,15,16)
InChIKeyLWMTZCLFWOQCRA-UHFFFAOYSA-N
XLogP3.05
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 83028594) is N-(2,2-dimethyloxan-4-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CC1CSC(NC2CCOC(C)(C)C2)=N1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is LWMTZCLFWOQCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-10(2)7-12-9-18-13(16-12)15-11-5-6-17-14(3,4)8-11/h10-12H,5-9H2,1-4H3,(H,15,16).
What are the key properties of N-(2,2-dimethyloxan-4-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(2,2-dimethyloxan-4-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 270.44 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 83028594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).