4-(1-aminopropyl)-3H-1,3-thiazol-2-one

C6H10N2OS — CID 103113156

IUPAC4-(1-aminopropyl)-3H-1,3-thiazol-2-one
SMILESCCC(N)c1csc(=O)[nH]1
InChIInChI=1S/C6H10N2OS/c1-2-4(7)5-3-10-6(9)8-5/h3-4H,2,7H2,1H3,(H,8,9)
InChIKeyKDPKLUJPIQGYRN-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.85
Rot. Bonds2

About 4-(1-aminopropyl)-3H-1,3-thiazol-2-one

4-(1-aminopropyl)-3H-1,3-thiazol-2-one (PubChem CID 103113156) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 4-(1-aminopropyl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(1-aminopropyl)-3H-1,3-thiazol-2-one
PubChem CID103113156
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name4-(1-aminopropyl)-3H-1,3-thiazol-2-one
SMILESCCC(N)c1csc(=O)[nH]1
InChIInChI=1S/C6H10N2OS/c1-2-4(7)5-3-10-6(9)8-5/h3-4H,2,7H2,1H3,(H,8,9)
InChIKeyKDPKLUJPIQGYRN-UHFFFAOYSA-N
XLogP0.85
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(1-aminopropyl)-3H-1,3-thiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
4-[1-(ethylamino)ethyl]-3H-1,3-thiazol-2-one
CID 81463187
4-[1-(propylamino)ethyl]-3H-1,3-thiazol-2-one
CID 81463188

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopropyl)-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(1-aminopropyl)-3H-1,3-thiazol-2-one (CID 103113156) is 4-(1-aminopropyl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(1-aminopropyl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(1-aminopropyl)-3H-1,3-thiazol-2-one is CCC(N)c1csc(=O)[nH]1.
What is the InChIKey of 4-(1-aminopropyl)-3H-1,3-thiazol-2-one?
The InChIKey is KDPKLUJPIQGYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-2-4(7)5-3-10-6(9)8-5/h3-4H,2,7H2,1H3,(H,8,9).
What are the key properties of 4-(1-aminopropyl)-3H-1,3-thiazol-2-one?
4-(1-aminopropyl)-3H-1,3-thiazol-2-one has a molecular weight of 158.23 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopropyl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 103113156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).