4-[1-(methylamino)propyl]-3H-1,3-thiazol-2-one

C7H12N2OS — CID 103113146

IUPAC4-[1-(methylamino)propyl]-3H-1,3-thiazol-2-one
SMILESCCC(NC)c1csc(=O)[nH]1
InChIInChI=1S/C7H12N2OS/c1-3-5(8-2)6-4-11-7(10)9-6/h4-5,8H,3H2,1-2H3,(H,9,10)
InChIKeyWHCFBNPUIBFZQT-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.11
Rot. Bonds3

About 4-[1-(methylamino)propyl]-3H-1,3-thiazol-2-one

4-[1-(methylamino)propyl]-3H-1,3-thiazol-2-one (PubChem CID 103113146) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 4-[1-(methylamino)propyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[1-(methylamino)propyl]-3H-1,3-thiazol-2-one
PubChem CID103113146
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name4-[1-(methylamino)propyl]-3H-1,3-thiazol-2-one
SMILESCCC(NC)c1csc(=O)[nH]1
InChIInChI=1S/C7H12N2OS/c1-3-5(8-2)6-4-11-7(10)9-6/h4-5,8H,3H2,1-2H3,(H,9,10)
InChIKeyWHCFBNPUIBFZQT-UHFFFAOYSA-N
XLogP1.11
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(ethylamino)ethyl]-3H-1,3-thiazol-2-one
CID 67569728
4-[1-(ethylamino)heptyl]-3H-1,3-thiazol-2-one
CID 68096802
4-[1-(prop-1-en-2-ylamino)heptyl]-3H-1,3-thiazol-2-one
CID 68096975
4-(1-aminohexyl)-3H-1,3-thiazol-2-one
CID 68253170
4-[1-(methylamino)hexyl]-3H-1,3-thiazol-2-one
CID 68253312
4-[1-(methylamino)heptyl]-3H-1,3-thiazol-2-one
CID 117835591
3-Methyl-4-[1-(methylamino)heptyl]-1,3-thiazol-2-one
CID 132061377
4-[1,5-bis(methylamino)pentyl]-3H-1,3-thiazol-2-one;ethane
CID 144233749
4-[1-(iodoamino)hexyl]-3H-1,3-thiazol-2-one
CID 156121525
4-(1-aminoethyl)-3H-1,3-thiazol-2-one
CID 81455986
4-[(Methylamino)methyl]-2,3-dihydro-1,3-thiazol-2-one
CID 81455987
4-[1-(methylamino)ethyl]-3H-1,3-thiazol-2-one
CID 81463090

Frequently Asked Questions

What is the IUPAC name of 4-[1-(methylamino)propyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[1-(methylamino)propyl]-3H-1,3-thiazol-2-one (CID 103113146) is 4-[1-(methylamino)propyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[1-(methylamino)propyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[1-(methylamino)propyl]-3H-1,3-thiazol-2-one is CCC(NC)c1csc(=O)[nH]1.
What is the InChIKey of 4-[1-(methylamino)propyl]-3H-1,3-thiazol-2-one?
The InChIKey is WHCFBNPUIBFZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-3-5(8-2)6-4-11-7(10)9-6/h4-5,8H,3H2,1-2H3,(H,9,10).
What are the key properties of 4-[1-(methylamino)propyl]-3H-1,3-thiazol-2-one?
4-[1-(methylamino)propyl]-3H-1,3-thiazol-2-one has a molecular weight of 172.25 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(methylamino)propyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 103113146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).