5-(aminomethyl)-4-methyl-3H-1,3-thiazol-2-one

C5H8N2OS — CID 81456194

IUPAC5-(aminomethyl)-4-methyl-3H-1,3-thiazol-2-one
SMILESCc1[nH]c(=O)sc1CN
InChIInChI=1S/C5H8N2OS/c1-3-4(2-6)9-5(8)7-3/h2,6H2,1H3,(H,7,8)
InChIKeyNEHNEWQPPXALMM-UHFFFAOYSA-N
MW144.20 g/mol
LogP0.20
Rot. Bonds1

About 5-(aminomethyl)-4-methyl-3H-1,3-thiazol-2-one

5-(aminomethyl)-4-methyl-3H-1,3-thiazol-2-one (PubChem CID 81456194) has the molecular formula C5H8N2OS and a molecular weight of 144.20 g/mol. Its IUPAC name is 5-(aminomethyl)-4-methyl-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-4-methyl-3H-1,3-thiazol-2-one
PubChem CID81456194
Molecular FormulaC5H8N2OS
Molecular Weight144.20 g/mol
Exact Mass144.04
IUPAC Name5-(aminomethyl)-4-methyl-3H-1,3-thiazol-2-one
SMILESCc1[nH]c(=O)sc1CN
InChIInChI=1S/C5H8N2OS/c1-3-4(2-6)9-5(8)7-3/h2,6H2,1H3,(H,7,8)
InChIKeyNEHNEWQPPXALMM-UHFFFAOYSA-N
XLogP0.20
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-methyl-3H-1,3-thiazol-2-one?
The IUPAC name of 5-(aminomethyl)-4-methyl-3H-1,3-thiazol-2-one (CID 81456194) is 5-(aminomethyl)-4-methyl-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-(aminomethyl)-4-methyl-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-(aminomethyl)-4-methyl-3H-1,3-thiazol-2-one is Cc1[nH]c(=O)sc1CN.
What is the InChIKey of 5-(aminomethyl)-4-methyl-3H-1,3-thiazol-2-one?
The InChIKey is NEHNEWQPPXALMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS/c1-3-4(2-6)9-5(8)7-3/h2,6H2,1H3,(H,7,8).
What are the key properties of 5-(aminomethyl)-4-methyl-3H-1,3-thiazol-2-one?
5-(aminomethyl)-4-methyl-3H-1,3-thiazol-2-one has a molecular weight of 144.20 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-methyl-3H-1,3-thiazol-2-one is sourced from PubChem (CID 81456194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).