4,5-dimethyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-one

C10H18N2OS — CID 63312477

IUPAC4,5-dimethyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CCNC(C)C)c1C
InChIInChI=1S/C10H18N2OS/c1-7(2)11-5-6-12-8(3)9(4)14-10(12)13/h7,11H,5-6H2,1-4H3
InChIKeyCKMIKVRWFFYUTR-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.52
Rot. Bonds4

About 4,5-dimethyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-one

4,5-dimethyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-one (PubChem CID 63312477) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 4,5-dimethyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name4,5-dimethyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-one
PubChem CID63312477
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name4,5-dimethyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CCNC(C)C)c1C
InChIInChI=1S/C10H18N2OS/c1-7(2)11-5-6-12-8(3)9(4)14-10(12)13/h7,11H,5-6H2,1-4H3
InChIKeyCKMIKVRWFFYUTR-UHFFFAOYSA-N
XLogP1.52
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-one?
The IUPAC name of 4,5-dimethyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-one (CID 63312477) is 4,5-dimethyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 4,5-dimethyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-one?
The canonical SMILES for 4,5-dimethyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-one is Cc1sc(=O)n(CCNC(C)C)c1C.
What is the InChIKey of 4,5-dimethyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-one?
The InChIKey is CKMIKVRWFFYUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-7(2)11-5-6-12-8(3)9(4)14-10(12)13/h7,11H,5-6H2,1-4H3.
What are the key properties of 4,5-dimethyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-one?
4,5-dimethyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-one has a molecular weight of 214.33 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 63312477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).