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

C9H16N2OS — CID 60671012

IUPAC4-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCNC(C)C
InChIInChI=1S/C9H16N2OS/c1-7(2)10-4-5-11-8(3)6-13-9(11)12/h6-7,10H,4-5H2,1-3H3
InChIKeyLZHTWKFHECSINH-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.22
Rot. Bonds4

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

4-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-one (PubChem CID 60671012) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 4-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-one
PubChem CID60671012
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name4-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCNC(C)C
InChIInChI=1S/C9H16N2OS/c1-7(2)10-4-5-11-8(3)6-13-9(11)12/h6-7,10H,4-5H2,1-3H3
InChIKeyLZHTWKFHECSINH-UHFFFAOYSA-N
XLogP1.22
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-one?
The IUPAC name of 4-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-one (CID 60671012) is 4-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 4-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-one?
The canonical SMILES for 4-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-one is Cc1csc(=O)n1CCNC(C)C.
What is the InChIKey of 4-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-one?
The InChIKey is LZHTWKFHECSINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-7(2)10-4-5-11-8(3)6-13-9(11)12/h6-7,10H,4-5H2,1-3H3.
What are the key properties of 4-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-one?
4-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-one has a molecular weight of 200.31 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 60671012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).