3-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-5-methylimidazolidine-2,4-dione

C14H13ClN4O2S — CID 168583817

IUPAC3-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-5-methylimidazolidine-2,4-dione
SMILESCC1NC(=O)N(c2ccccc2NCc2cnc(Cl)s2)C1=O
InChIInChI=1S/C14H13ClN4O2S/c1-8-12(20)19(14(21)18-8)11-5-3-2-4-10(11)16-6-9-7-17-13(15)22-9/h2-5,7-8,16H,6H2,1H3,(H,18,21)
InChIKeyVORLVXNZUPUAIO-UHFFFAOYSA-N
MW336.80 g/mol
LogP2.85
Rot. Bonds4

About 3-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-5-methylimidazolidine-2,4-dione

3-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-5-methylimidazolidine-2,4-dione (PubChem CID 168583817) has the molecular formula C14H13ClN4O2S and a molecular weight of 336.80 g/mol. Its IUPAC name is 3-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-5-methylimidazolidine-2,4-dione
PubChem CID168583817
Molecular FormulaC14H13ClN4O2S
Molecular Weight336.80 g/mol
Exact Mass336.04
IUPAC Name3-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-5-methylimidazolidine-2,4-dione
SMILESCC1NC(=O)N(c2ccccc2NCc2cnc(Cl)s2)C1=O
InChIInChI=1S/C14H13ClN4O2S/c1-8-12(20)19(14(21)18-8)11-5-3-2-4-10(11)16-6-9-7-17-13(15)22-9/h2-5,7-8,16H,6H2,1H3,(H,18,21)
InChIKeyVORLVXNZUPUAIO-UHFFFAOYSA-N
XLogP2.85
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(3-methylpiperidin-1-yl)aniline
CID 168581248
1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]piperidin-4-ol
CID 168580176
3-[2-[(3-chloro-2-hydroxypropyl)amino]phenyl]-5-methylimidazolidine-2,4-dione
CID 168637844
8-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methyl-1,4-benzoxazin-3-one
CID 168583782
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-cyclopropylbenzamide
CID 168579845
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)aniline
CID 168583670
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylisoquinolin-5-amine
CID 168582921
8-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-methyl-1,4-dihydroquinazolin-2-one
CID 168581198
8-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4,4-dimethyl-1,2-dihydroisoquinolin-3-one
CID 168581328
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-propylbenzamide
CID 168579862
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-pyrazol-1-ylaniline
CID 75434803
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-cyclopropyl-3H-isoindol-1-one
CID 168582484

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-5-methylimidazolidine-2,4-dione (CID 168583817) is 3-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-5-methylimidazolidine-2,4-dione is CC1NC(=O)N(c2ccccc2NCc2cnc(Cl)s2)C1=O.
What is the InChIKey of 3-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is VORLVXNZUPUAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2S/c1-8-12(20)19(14(21)18-8)11-5-3-2-4-10(11)16-6-9-7-17-13(15)22-9/h2-5,7-8,16H,6H2,1H3,(H,18,21).
What are the key properties of 3-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-5-methylimidazolidine-2,4-dione?
3-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 336.80 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 168583817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).