4-chloro-N-(3-propyloxolan-3-yl)-1,3-thiazol-2-amine

C10H15ClN2OS — CID 130610268

IUPAC4-chloro-N-(3-propyloxolan-3-yl)-1,3-thiazol-2-amine
SMILESCCCC1(Nc2nc(Cl)cs2)CCOC1
InChIInChI=1S/C10H15ClN2OS/c1-2-3-10(4-5-14-7-10)13-9-12-8(11)6-15-9/h6H,2-5,7H2,1H3,(H,12,13)
InChIKeyQUCJVPXCRDJINS-UHFFFAOYSA-N
MW246.76 g/mol
LogP3.17
Rot. Bonds4

About 4-chloro-N-(3-propyloxolan-3-yl)-1,3-thiazol-2-amine

4-chloro-N-(3-propyloxolan-3-yl)-1,3-thiazol-2-amine (PubChem CID 130610268) has the molecular formula C10H15ClN2OS and a molecular weight of 246.76 g/mol. Its IUPAC name is 4-chloro-N-(3-propyloxolan-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-(3-propyloxolan-3-yl)-1,3-thiazol-2-amine
PubChem CID130610268
Molecular FormulaC10H15ClN2OS
Molecular Weight246.76 g/mol
Exact Mass246.06
IUPAC Name4-chloro-N-(3-propyloxolan-3-yl)-1,3-thiazol-2-amine
SMILESCCCC1(Nc2nc(Cl)cs2)CCOC1
InChIInChI=1S/C10H15ClN2OS/c1-2-3-10(4-5-14-7-10)13-9-12-8(11)6-15-9/h6H,2-5,7H2,1H3,(H,12,13)
InChIKeyQUCJVPXCRDJINS-UHFFFAOYSA-N
XLogP3.17
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-propyloxolan-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-(3-propyloxolan-3-yl)-1,3-thiazol-2-amine (CID 130610268) is 4-chloro-N-(3-propyloxolan-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-(3-propyloxolan-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-(3-propyloxolan-3-yl)-1,3-thiazol-2-amine is CCCC1(Nc2nc(Cl)cs2)CCOC1.
What is the InChIKey of 4-chloro-N-(3-propyloxolan-3-yl)-1,3-thiazol-2-amine?
The InChIKey is QUCJVPXCRDJINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2OS/c1-2-3-10(4-5-14-7-10)13-9-12-8(11)6-15-9/h6H,2-5,7H2,1H3,(H,12,13).
What are the key properties of 4-chloro-N-(3-propyloxolan-3-yl)-1,3-thiazol-2-amine?
4-chloro-N-(3-propyloxolan-3-yl)-1,3-thiazol-2-amine has a molecular weight of 246.76 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-propyloxolan-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 130610268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).