4-[(3-methylpentan-2-ylamino)methyl]-3H-1,3-thiazol-2-one

C10H18N2OS — CID 106379926

IUPAC4-[(3-methylpentan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCCC(C)C(C)NCc1csc(=O)[nH]1
InChIInChI=1S/C10H18N2OS/c1-4-7(2)8(3)11-5-9-6-14-10(13)12-9/h6-8,11H,4-5H2,1-3H3,(H,12,13)
InChIKeyMOJVUGPYOPRSKM-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.96
Rot. Bonds5

About 4-[(3-methylpentan-2-ylamino)methyl]-3H-1,3-thiazol-2-one

4-[(3-methylpentan-2-ylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379926) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 4-[(3-methylpentan-2-ylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(3-methylpentan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106379926
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name4-[(3-methylpentan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCCC(C)C(C)NCc1csc(=O)[nH]1
InChIInChI=1S/C10H18N2OS/c1-4-7(2)8(3)11-5-9-6-14-10(13)12-9/h6-8,11H,4-5H2,1-3H3,(H,12,13)
InChIKeyMOJVUGPYOPRSKM-UHFFFAOYSA-N
XLogP1.96
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylpentan-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(3-methylpentan-2-ylamino)methyl]-3H-1,3-thiazol-2-one (CID 106379926) is 4-[(3-methylpentan-2-ylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(3-methylpentan-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(3-methylpentan-2-ylamino)methyl]-3H-1,3-thiazol-2-one is CCC(C)C(C)NCc1csc(=O)[nH]1.
What is the InChIKey of 4-[(3-methylpentan-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is MOJVUGPYOPRSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-4-7(2)8(3)11-5-9-6-14-10(13)12-9/h6-8,11H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 4-[(3-methylpentan-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(3-methylpentan-2-ylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 214.33 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylpentan-2-ylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).