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

C10H18N2OS — CID 61388132

IUPAC4-methyl-3-[3-(propan-2-ylamino)propyl]-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCCNC(C)C
InChIInChI=1S/C10H18N2OS/c1-8(2)11-5-4-6-12-9(3)7-14-10(12)13/h7-8,11H,4-6H2,1-3H3
InChIKeyAUAOVURZXABUFI-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.61
Rot. Bonds5

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

4-methyl-3-[3-(propan-2-ylamino)propyl]-1,3-thiazol-2-one (PubChem CID 61388132) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 4-methyl-3-[3-(propan-2-ylamino)propyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-methyl-3-[3-(propan-2-ylamino)propyl]-1,3-thiazol-2-one
PubChem CID61388132
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name4-methyl-3-[3-(propan-2-ylamino)propyl]-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCCNC(C)C
InChIInChI=1S/C10H18N2OS/c1-8(2)11-5-4-6-12-9(3)7-14-10(12)13/h7-8,11H,4-6H2,1-3H3
InChIKeyAUAOVURZXABUFI-UHFFFAOYSA-N
XLogP1.61
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[3-(propan-2-ylamino)propyl]-1,3-thiazol-2-one?
The IUPAC name of 4-methyl-3-[3-(propan-2-ylamino)propyl]-1,3-thiazol-2-one (CID 61388132) is 4-methyl-3-[3-(propan-2-ylamino)propyl]-1,3-thiazol-2-one.
What is the SMILES notation for 4-methyl-3-[3-(propan-2-ylamino)propyl]-1,3-thiazol-2-one?
The canonical SMILES for 4-methyl-3-[3-(propan-2-ylamino)propyl]-1,3-thiazol-2-one is Cc1csc(=O)n1CCCNC(C)C.
What is the InChIKey of 4-methyl-3-[3-(propan-2-ylamino)propyl]-1,3-thiazol-2-one?
The InChIKey is AUAOVURZXABUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-8(2)11-5-4-6-12-9(3)7-14-10(12)13/h7-8,11H,4-6H2,1-3H3.
What are the key properties of 4-methyl-3-[3-(propan-2-ylamino)propyl]-1,3-thiazol-2-one?
4-methyl-3-[3-(propan-2-ylamino)propyl]-1,3-thiazol-2-one has a molecular weight of 214.33 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[3-(propan-2-ylamino)propyl]-1,3-thiazol-2-one is sourced from PubChem (CID 61388132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).