1-[3-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]imidazolidin-2-one

C13H13ClN4OS — CID 104878813

IUPAC1-[3-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]imidazolidin-2-one
SMILESO=C1NCCN1c1cccc(NCc2ncc(Cl)s2)c1
InChIInChI=1S/C13H13ClN4OS/c14-11-7-17-12(20-11)8-16-9-2-1-3-10(6-9)18-5-4-15-13(18)19/h1-3,6-7,16H,4-5,8H2,(H,15,19)
InChIKeyOHOYABDWQDKJHM-UHFFFAOYSA-N
MW308.79 g/mol
LogP2.94
Rot. Bonds4

About 1-[3-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]imidazolidin-2-one

1-[3-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]imidazolidin-2-one (PubChem CID 104878813) has the molecular formula C13H13ClN4OS and a molecular weight of 308.79 g/mol. Its IUPAC name is 1-[3-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]imidazolidin-2-one
PubChem CID104878813
Molecular FormulaC13H13ClN4OS
Molecular Weight308.79 g/mol
Exact Mass308.05
IUPAC Name1-[3-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]imidazolidin-2-one
SMILESO=C1NCCN1c1cccc(NCc2ncc(Cl)s2)c1
InChIInChI=1S/C13H13ClN4OS/c14-11-7-17-12(20-11)8-16-9-2-1-3-10(6-9)18-5-4-15-13(18)19/h1-3,6-7,16H,4-5,8H2,(H,15,19)
InChIKeyOHOYABDWQDKJHM-UHFFFAOYSA-N
XLogP2.94
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(pyrazin-2-ylmethylamino)phenyl]imidazolidin-2-one
CID 62761809
1-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]imidazolidin-2-one
CID 43696383
1-[3-[(3-methylphenyl)methylamino]phenyl]imidazolidin-2-one
CID 43696493
1-[4-[(5-propan-2-yl-1,3-thiazol-2-yl)methylamino]phenyl]imidazolidin-2-one
CID 86799406
3-chloro-2,2-dimethyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 63679045
5-[[3-(2-oxoimidazolidin-1-yl)anilino]methyl]furan-2-carbonitrile
CID 115743185
N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47210940
1-[3-(dicyclopropylmethylamino)phenyl]imidazolidin-2-one
CID 43696697
1-[3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]phenyl]imidazolidin-2-one
CID 81401096
1-[3-[(3-methylcyclohexyl)amino]phenyl]imidazolidin-2-one
CID 43696521
2-[3-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenoxy]acetonitrile
CID 104881388
3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-diethylbenzamide
CID 104878920

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[3-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]imidazolidin-2-one (CID 104878813) is 1-[3-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]imidazolidin-2-one is O=C1NCCN1c1cccc(NCc2ncc(Cl)s2)c1.
What is the InChIKey of 1-[3-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]imidazolidin-2-one?
The InChIKey is OHOYABDWQDKJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4OS/c14-11-7-17-12(20-11)8-16-9-2-1-3-10(6-9)18-5-4-15-13(18)19/h1-3,6-7,16H,4-5,8H2,(H,15,19).
What are the key properties of 1-[3-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]imidazolidin-2-one?
1-[3-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]imidazolidin-2-one has a molecular weight of 308.79 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]imidazolidin-2-one is sourced from PubChem (CID 104878813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).