4-chloro-N-(2,5-dimethyloxolan-3-yl)-N-methyl-1,3-thiazol-2-amine

C10H15ClN2OS — CID 131207453

IUPAC4-chloro-N-(2,5-dimethyloxolan-3-yl)-N-methyl-1,3-thiazol-2-amine
SMILESCC1CC(N(C)c2nc(Cl)cs2)C(C)O1
InChIInChI=1S/C10H15ClN2OS/c1-6-4-8(7(2)14-6)13(3)10-12-9(11)5-15-10/h5-8H,4H2,1-3H3
InChIKeyYTTSZSPJVUPAFF-UHFFFAOYSA-N
MW246.76 g/mol
LogP2.80
Rot. Bonds2

About 4-chloro-N-(2,5-dimethyloxolan-3-yl)-N-methyl-1,3-thiazol-2-amine

4-chloro-N-(2,5-dimethyloxolan-3-yl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 131207453) has the molecular formula C10H15ClN2OS and a molecular weight of 246.76 g/mol. Its IUPAC name is 4-chloro-N-(2,5-dimethyloxolan-3-yl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2,5-dimethyloxolan-3-yl)-N-methyl-1,3-thiazol-2-amine
PubChem CID131207453
Molecular FormulaC10H15ClN2OS
Molecular Weight246.76 g/mol
Exact Mass246.06
IUPAC Name4-chloro-N-(2,5-dimethyloxolan-3-yl)-N-methyl-1,3-thiazol-2-amine
SMILESCC1CC(N(C)c2nc(Cl)cs2)C(C)O1
InChIInChI=1S/C10H15ClN2OS/c1-6-4-8(7(2)14-6)13(3)10-12-9(11)5-15-10/h5-8H,4H2,1-3H3
InChIKeyYTTSZSPJVUPAFF-UHFFFAOYSA-N
XLogP2.80
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,5-dimethyloxolan-3-yl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-(2,5-dimethyloxolan-3-yl)-N-methyl-1,3-thiazol-2-amine (CID 131207453) is 4-chloro-N-(2,5-dimethyloxolan-3-yl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-(2,5-dimethyloxolan-3-yl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-(2,5-dimethyloxolan-3-yl)-N-methyl-1,3-thiazol-2-amine is CC1CC(N(C)c2nc(Cl)cs2)C(C)O1.
What is the InChIKey of 4-chloro-N-(2,5-dimethyloxolan-3-yl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is YTTSZSPJVUPAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2OS/c1-6-4-8(7(2)14-6)13(3)10-12-9(11)5-15-10/h5-8H,4H2,1-3H3.
What are the key properties of 4-chloro-N-(2,5-dimethyloxolan-3-yl)-N-methyl-1,3-thiazol-2-amine?
4-chloro-N-(2,5-dimethyloxolan-3-yl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 246.76 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,5-dimethyloxolan-3-yl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 131207453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).