4-[[2-(cyclopropylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one

C9H15N3OS — CID 106381713

IUPAC4-[[2-(cyclopropylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCCNC2CC2)cs1
InChIInChI=1S/C9H15N3OS/c13-9-12-8(6-14-9)5-10-3-4-11-7-1-2-7/h6-7,10-11H,1-5H2,(H,12,13)
InChIKeyODDWNFRQJVLLAC-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.28
Rot. Bonds6

About 4-[[2-(cyclopropylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one

4-[[2-(cyclopropylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381713) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 4-[[2-(cyclopropylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[2-(cyclopropylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106381713
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name4-[[2-(cyclopropylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCCNC2CC2)cs1
InChIInChI=1S/C9H15N3OS/c13-9-12-8(6-14-9)5-10-3-4-11-7-1-2-7/h6-7,10-11H,1-5H2,(H,12,13)
InChIKeyODDWNFRQJVLLAC-UHFFFAOYSA-N
XLogP0.28
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-fluoroethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380671
4-[(3-fluoropropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380734
4-[(3,3,3-trifluoropropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380737
4-[(4,4,4-trifluorobutylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380757
4-[[2-(2,2,2-trifluoroethylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381860
4-Methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-2-one
CID 60671012
3-[2-(Cyclopropylamino)ethyl]-4-methyl-1,3-thiazol-2-one
CID 60671965
4-Methyl-3-[2-(propylamino)ethyl]-1,3-thiazol-2-one
CID 60671974
3-[2-(Ethylamino)ethyl]-4-methyl-1,3-thiazol-2-one
CID 60673072
3-[3-(Cyclopropylamino)propyl]-4-methyl-1,3-thiazol-2-one
CID 61388133
3-[2-(Cyclopropylamino)ethyl]-1,3-thiazol-2-one
CID 63312411
4-(1-aminoethyl)-3H-1,3-thiazol-2-one
CID 81455986

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(cyclopropylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[2-(cyclopropylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one (CID 106381713) is 4-[[2-(cyclopropylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[2-(cyclopropylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[2-(cyclopropylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNCCNC2CC2)cs1.
What is the InChIKey of 4-[[2-(cyclopropylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is ODDWNFRQJVLLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c13-9-12-8(6-14-9)5-10-3-4-11-7-1-2-7/h6-7,10-11H,1-5H2,(H,12,13).
What are the key properties of 4-[[2-(cyclopropylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[2-(cyclopropylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 213.31 g/mol, XLogP of 0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(cyclopropylamino)ethylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).